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diffractgpt_jarvis_dft

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[{'expected': SplitInfo(name='train', num_bytes=None, num_examples=None, shard_lengths=None, dataset_name=None), 'recorded': SplitInfo(name='train', num_bytes=120884843, num_examples=72194, shard_lengths=None, dataset_name='diffractgpt_jarvis_dft')}, {'expected': SplitInfo(name='test', num_bytes=None, num_examples=None, shard_lengths=None, dataset_name=None), 'recorded': SplitInfo(name='test', num_bytes=6683811, num_examples=3799, shard_lengths=None, dataset_name='diffractgpt_jarvis_dft')}]

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id string	instruction string	input string	output string
null	Below is a description of a material.	The chemical contents are {'As': 1, 'Cu': 1, 'Si': 1, 'Ti': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.04,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.19,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.57 3.57 9.40 90 90 90 Ti 0.750 0.750 0.785 Ti 0.250 0.250 0.215 Cu 0.250 0.750 0.500 Cu 0.750 0.250 0.500 Si 0.250 0.750 0.000 Si 0.750 0.250 0.000 As 0.750 0.750 0.307 As 0.250 0.250 0.693
null	Below is a description of a material.	The chemical contents are {'B': 6.0, 'Dy': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.09 4.09 4.09 90 90 90 Dy 0.000 0.000 0.000 B 0.199 0.500 0.500 B 0.500 0.801 0.500 B 0.500 0.199 0.500 B 0.801 0.500 0.500 B 0.500 0.500 0.199 B 0.500 0.500 0.801
null	Below is a description of a material.	The chemical contents are {'Be': 2.0, 'Os': 1, 'Ru': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.34 4.34 4.34 130 130 73 Be 0.000 0.000 0.000 Be 0.250 0.750 0.500 Os 0.500 0.500 0.000 Ru 0.750 0.250 0.500
null	Below is a description of a material.	The chemical contents are {'Bi': 1, 'K': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49,0.0,0.0,0.39,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.9,0.0,0.0,0.0,0.0,1.0,0.0,0.55,0.0,0.0,0.0,0.0,0.0,0.0,0.57,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.0,0.62,0.26,0.0,0.25,0.09,0.09,0.0,0.14,0.0,0.0,0.44,0.29,0.0,0.0,0.29,0.0,0.21,0.0,0.33,0.0,0.0,0.0,0.11,0.0,0.16,0.0,0.0,0.12,0.0,0.0,0.1,0.12,0.46,0.1,0.09,0.0,0.1,0.12,0.0,0.29,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.30 13.44 14.22 113 90 90 K 0.125 0.557 0.845 K 0.634 0.360 0.885 K 0.866 0.860 0.885 K 0.366 0.640 0.115 K 0.296 0.039 0.397 K 0.796 0.461 0.603 K 0.704 0.961 0.603 K 0.204 0.539 0.397 K 0.134 0.140 0.115 K 0.569 0.307 0.345 K 0.931 0.807 0.345 K 0.431 0.693 0.655 K 0.375 0.057 0.845 K 0.875 0.443 0.155 K 0.625 0.943 0.155 K 0.069 0.193 0.655 Bi 0.354 0.823 0.926 Bi 0.854 0.677 0.074 Bi 0.386 0.372 0.117 Bi 0.886 0.128 0.883 Bi 0.614 0.628 0.883 Bi 0.114 0.872 0.117 Bi 0.061 0.272 0.387 Bi 0.439 0.772 0.387 Bi 0.939 0.728 0.613 Bi 0.291 0.391 0.580 Bi 0.791 0.109 0.420 Bi 0.709 0.609 0.420 Bi 0.209 0.891 0.580 Bi 0.146 0.323 0.926 Bi 0.561 0.228 0.613 Bi 0.646 0.177 0.074
null	Below is a description of a material.	The chemical contents are {'Se': 2.0, 'V': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.36 3.36 6.22 90 90 120 V 0.000 0.000 0.000 Se 0.667 0.333 0.748 Se 0.333 0.667 0.252
null	Below is a description of a material.	The chemical contents are {'Mn': 1, 'Si': 1, 'Tb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.53,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.82,0.29,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.14,0.0,0.09,0.21,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.11,0.0,0.08,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.16 7.04 7.41 90 90 90 Tb 0.250 0.501 0.186 Tb 0.750 0.499 0.814 Tb 0.250 0.001 0.314 Tb 0.750 0.999 0.686 Mn 0.750 0.861 0.060 Mn 0.250 0.139 0.940 Mn 0.750 0.361 0.440 Mn 0.250 0.639 0.560 Si 0.250 0.793 0.892 Si 0.750 0.207 0.108 Si 0.250 0.293 0.608 Si 0.750 0.707 0.392
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Bi': 1, 'Na': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.33 7.33 7.33 60 60 60 Ba 0.131 0.623 0.623 Ba 0.623 0.623 0.623 Ba 0.623 0.131 0.623 Ba 0.623 0.623 0.131 Na 0.000 0.000 0.000 Bi 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Fe': 1, 'O': 3.0, 'Sr': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.79 3.79 3.79 90 90 90 Sr 0.500 0.500 0.500 Fe 0.000 0.000 0.000 O 0.500 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500
null	Below is a description of a material.	The chemical contents are {'Lu': 1, 'Ni': 4.0, 'Sn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.84,0.0,0.0,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.56,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.95 4.95 4.95 60 60 60 Lu 0.000 0.000 0.000 Ni 0.625 0.625 0.125 Ni 0.625 0.125 0.625 Ni 0.125 0.625 0.625 Ni 0.625 0.625 0.625 Sn 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Mo': 1, 'S': 6.0, 'Se': 2.0, 'W': 3.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.23 3.23 34.14 90 90 120 Mo 0.333 0.667 0.093 W 0.333 0.667 0.472 W 0.667 0.333 0.282 W 0.667 0.333 0.655 Se 0.333 0.667 0.333 Se 0.333 0.667 0.232 S 0.333 0.667 0.701 S 0.667 0.333 0.048 S 0.667 0.333 0.426 S 0.667 0.333 0.139 S 0.667 0.333 0.518 S 0.333 0.667 0.609
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Ce': 1, 'Mn': 3.0, 'O': 12.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.79,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.16,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	10.15 10.15 10.15 33 33 33 Ba 0.283 0.283 0.283 Ba 0.131 0.131 0.131 Ba 0.717 0.717 0.717 Ba 0.869 0.869 0.869 Ce 0.000 0.000 0.000 Mn 0.414 0.414 0.414 Mn 0.586 0.586 0.586 Mn 0.500 0.500 0.500 O 0.777 0.311 0.777 O 0.606 0.606 0.163 O 0.163 0.606 0.606 O 0.394 0.394 0.837 O 0.837 0.394 0.394 O 0.223 0.223 0.689 O 0.394 0.837 0.394 O 0.311 0.777 0.777 O 0.606 0.163 0.606 O 0.777 0.777 0.311 O 0.689 0.223 0.223 O 0.223 0.689 0.223
null	Below is a description of a material.	The chemical contents are {'Fe': 2.0, 'O': 4.0, 'Si': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.81,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.13,0.71,0.0,0.0,1.0,0.0,0.17,0.0,0.0,0.06,0.0,0.1,0.0,0.0,0.0,0.13,0.11,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.09,0.0,0.79,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.06,0.0,0.15,0.0,0.0,0.0,0.06,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.05,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.93 6.01 10.30 90 90 90 Fe 0.000 0.000 0.000 Fe 0.000 0.500 0.000 Fe 0.500 0.500 0.500 Fe 0.016 0.750 0.726 Fe 0.516 0.250 0.774 Fe 0.984 0.250 0.274 Fe 0.484 0.750 0.226 Fe 0.500 0.000 0.500 Si 0.570 0.750 0.904 Si 0.070 0.250 0.596 Si 0.430 0.250 0.096 Si 0.930 0.750 0.404 O 0.262 0.750 0.406 O 0.762 0.250 0.094 O 0.216 0.467 0.666 O 0.703 0.750 0.053 O 0.203 0.250 0.447 O 0.297 0.250 0.947 O 0.797 0.750 0.553 O 0.716 0.967 0.834 O 0.216 0.033 0.666 O 0.284 0.467 0.166 O 0.784 0.533 0.334 O 0.284 0.033 0.166 O 0.784 0.967 0.334 O 0.716 0.533 0.834 O 0.238 0.750 0.906 O 0.738 0.250 0.594
null	Below is a description of a material.	The chemical contents are {'Ba': 14.0, 'Li': 1, 'N': 6.0, 'Na': 14.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.78,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.55,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.92,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	12.39 12.39 12.39 60 60 60 Ba 0.315 0.895 0.895 Ba 0.105 0.685 0.105 Ba 0.105 0.105 0.685 Ba 0.685 0.105 0.105 Ba 0.105 0.105 0.105 Ba 0.707 0.293 0.293 Ba 0.895 0.895 0.315 Ba 0.707 0.293 0.707 Ba 0.895 0.315 0.895 Ba 0.293 0.293 0.707 Ba 0.293 0.707 0.293 Ba 0.293 0.707 0.707 Ba 0.895 0.895 0.895 Ba 0.707 0.707 0.293 Na 0.000 0.500 0.500 Na 0.000 0.000 0.500 Na 0.500 0.000 -0.000 Na 0.000 0.500 -0.000 Na 0.500 0.500 -0.000 Na 0.329 0.329 0.329 Na 0.013 0.329 0.329 Na 0.329 0.013 0.329 Na 0.987 0.671 0.671 Na 0.671 0.671 0.671 Na 0.500 0.000 0.500 Na 0.329 0.329 0.013 Na 0.671 0.987 0.671 Na 0.671 0.671 0.987 Li 0.000 0.000 0.000 N 0.150 0.150 0.850 N 0.850 0.150 0.150 N 0.850 0.850 0.150 N 0.850 0.150 0.850 N 0.150 0.850 0.850 N 0.150 0.850 0.150
null	Below is a description of a material.	The chemical contents are {'Ag': 2.0, 'I': 1, 'O': 6.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.66,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.2,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.79 5.79 5.79 57 57 57 Ag 0.788 0.788 0.788 Ag 0.212 0.212 0.212 I 0.000 0.000 0.000 O 0.909 0.196 0.652 O 0.652 0.909 0.196 O 0.196 0.652 0.909 O 0.091 0.804 0.348 O 0.348 0.091 0.804 O 0.804 0.348 0.091
null	Below is a description of a material.	The chemical contents are {'Cr': 3.0, 'Li': 4.0, 'Mn': 3.0, 'O': 12.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.81,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.19 5.19 8.79 99 80 65 Li 0.170 0.830 0.661 Li 0.830 0.170 0.339 Li 0.580 0.920 0.840 Li 0.920 0.580 0.160 Mn -0.000 0.000 -0.000 Mn 0.336 0.664 0.328 Mn 0.664 0.336 0.672 Cr 0.085 0.415 0.831 Cr 0.415 0.085 0.169 Cr 0.750 0.750 0.500 O 0.873 0.176 0.832 O 0.782 0.782 -0.000 O 0.567 0.874 0.326 O 0.526 0.526 0.500 O 0.656 0.295 0.168 O 0.218 0.218 0.000 O 0.452 0.107 0.674 O 0.176 0.873 0.168 O 0.107 0.452 0.326 O 0.874 0.567 0.674 O 0.295 0.656 0.832 O 0.974 0.974 0.500
null	Below is a description of a material.	The chemical contents are {'As': 2.0, 'Cd': 1, 'O': 6.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.03,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.93 4.93 4.91 90 90 119 Cd 0.000 0.000 0.000 As 0.667 0.333 0.500 As 0.333 0.667 0.500 O 0.624 0.624 0.712 O 0.376 0.000 0.712 O -0.000 0.376 0.712 O 0.624 0.000 0.288 O 0.000 0.624 0.288 O 0.376 0.376 0.288
null	Below is a description of a material.	The chemical contents are {'F': 1, 'Fe': 1, 'O': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.59,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.72,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.84 5.46 4.84 116 59 116 Fe 0.143 0.430 0.143 Fe 0.347 0.041 0.347 Fe 0.674 0.022 0.674 O 0.070 0.223 0.423 O 0.423 0.223 0.731 O 0.731 0.223 0.070 F 0.272 0.761 0.932 F 0.557 0.761 0.272 F 0.932 0.761 0.557
null	Below is a description of a material.	The chemical contents are {'Cu': 1, 'Na': 2.0, 'O': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.1,0.68,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.12,0.06,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.61 5.61 5.61 132 149 57 Na 0.686 0.186 0.500 Na 0.314 0.814 0.500 Cu 0.000 0.500 0.500 O 0.367 0.367 0.000 O 0.633 0.633 -0.000
null	Below is a description of a material.	The chemical contents are {'Os': 4.0, 'Sb': 12.0, 'Sm': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.56,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.62,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	8.18 8.18 8.18 109 109 109 Sm 0.000 0.000 0.000 Sb 0.844 0.182 0.338 Sb 0.156 0.818 0.662 Sb 0.844 0.506 0.662 Sb 0.662 0.156 0.818 Sb 0.338 0.156 0.494 Sb 0.156 0.494 0.338 Sb 0.506 0.662 0.844 Sb 0.494 0.338 0.156 Sb 0.182 0.338 0.844 Sb 0.662 0.844 0.506 Sb 0.338 0.844 0.182 Sb 0.818 0.662 0.156 Os -0.000 0.500 0.000 Os 0.500 0.500 0.500 Os 0.000 0.000 0.500 Os 0.500 0.000 -0.000
null	Below is a description of a material.	The chemical contents are {'Mo': 3.0, 'S': 2.0, 'Se': 6.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.29 3.29 34.98 90 90 120 Mo 0.333 0.667 0.097 Mo 0.667 0.333 0.279 Mo 0.667 0.333 0.658 W 0.333 0.667 0.469 Se 0.333 0.667 0.327 Se 0.333 0.667 0.707 Se 0.667 0.333 0.420 Se 0.667 0.333 0.517 Se 0.333 0.667 0.231 Se 0.333 0.667 0.610 S 0.667 0.333 0.053 S 0.667 0.333 0.141
null	Below is a description of a material.	The chemical contents are {'Cl': 2.0, 'Pd': 1, 'Se': 8.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.17,0.0,0.0,0.0,0.8,0.34,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,1.0,0.0,0.94,0.0,0.0,0.24,0.7,0.0,0.15,0.0,0.0,0.16,0.0,0.31,0.22,0.0,0.47,0.41,0.0,0.0,0.0,0.0,0.08,0.0,0.3,0.0,0.0,0.0,0.37,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.1,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.2,0.0,0.11,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.09,0.21,0.0,0.15,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.1,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	9.07 9.60 13.81 90 90 90 Pd 0.500 0.000 0.000 Pd 0.500 0.500 0.500 Pd 0.000 0.500 0.000 Pd 0.000 0.000 0.500 Se 0.089 0.384 0.374 Se 0.411 0.884 0.626 Se 0.589 0.616 0.126 Se 0.704 0.483 0.383 Se 0.588 0.312 0.272 Se 0.411 0.384 0.874 Se 0.089 0.884 0.126 Se 0.912 0.312 0.772 Se 0.377 0.156 0.472 Se 0.123 0.656 0.528 Se 0.796 0.483 0.883 Se 0.623 0.844 0.528 Se 0.588 0.812 0.228 Se 0.088 0.688 0.228 Se 0.796 0.983 0.617 Se 0.412 0.688 0.728 Se 0.412 0.188 0.772 Se 0.296 0.017 0.883 Se 0.123 0.156 0.972 Se 0.911 0.616 0.626 Se 0.204 0.517 0.117 Se 0.877 0.344 0.472 Se 0.877 0.844 0.028 Se 0.377 0.656 0.028 Se 0.589 0.116 0.374 Se 0.088 0.188 0.272 Se 0.204 0.017 0.383 Se 0.911 0.116 0.874 Se 0.296 0.517 0.617 Se 0.912 0.812 0.728 Se 0.623 0.344 0.972 Se 0.704 0.983 0.117 Cl 0.397 0.659 0.391 Cl 0.897 0.341 0.109 Cl 0.897 0.841 0.391 Cl 0.103 0.159 0.609 Cl 0.397 0.159 0.109 Cl 0.603 0.341 0.609 Cl 0.103 0.659 0.891 Cl 0.603 0.841 0.891
null	Below is a description of a material.	The chemical contents are {'Ba': 1, 'Ge': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.23,0.12,0.0,0.0,0.0,0.74,0.8,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.31,1.0,0.24,0.0,0.0,0.0,0.69,0.4,0.0,0.19,0.11,0.0,0.6,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.08,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.15,0.0,0.0,0.13,0.0,0.0,0.15,0.0,0.14,0.0,0.12,0.0,0.09,0.0,0.0,0.24,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.11,0.0,0.2,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.18,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.85 9.15 11.69 90 90 90 Ba 0.750 0.985 0.308 Ba 0.750 0.485 0.192 Ba 0.250 0.515 0.808 Ba 0.750 0.156 0.907 Ba 0.250 0.844 0.093 Ba 0.750 0.656 0.593 Ba 0.250 0.344 0.407 Ba 0.250 0.015 0.692 Ge 0.250 0.695 0.541 Ge 0.750 0.305 0.459 Ge 0.250 0.195 0.959 Ge 0.750 0.805 0.041 Ge 0.938 0.308 0.650 Ge 0.250 0.426 0.093 Ge 0.750 0.574 0.907 Ge 0.938 0.808 0.850 Ge 0.438 0.192 0.150 Ge 0.562 0.308 0.650 Ge 0.062 0.692 0.350 Ge 0.062 0.192 0.150 Ge 0.562 0.808 0.850 Ge 0.438 0.692 0.350 Ge 0.750 0.074 0.593 Ge 0.250 0.926 0.407
null	Below is a description of a material.	The chemical contents are {'Mo': 2.0, 'S': 2.0, 'Se': 2.0, 'Te': 2.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.35 3.35 29.23 89 90 120 Te 0.333 0.667 0.409 Te 0.333 0.667 0.279 Mo 0.334 0.667 0.115 Mo 0.667 0.333 0.344 W 0.333 0.666 0.583 Se 0.666 0.333 0.525 Se 0.666 0.333 0.640 S 0.667 0.334 0.063 S 0.667 0.334 0.166
null	Below is a description of a material.	The chemical contents are {'F': 6.0, 'Li': 1, 'Sb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.77,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.78,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.42,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.43 5.43 5.43 55 55 55 Li 0.500 0.500 0.500 Sb 0.000 0.000 0.000 F 0.623 0.891 0.243 F 0.891 0.243 0.623 F 0.757 0.377 0.109 F 0.243 0.623 0.891 F 0.109 0.757 0.377 F 0.377 0.109 0.757
null	Below is a description of a material.	The chemical contents are {'Al': 1, 'As': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 4.05 4.05 60 60 60 Al 0.000 0.000 0.000 As 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'B': 6.0, 'Sr': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.19 4.19 4.19 90 90 90 Sr 0.000 0.000 0.000 B 0.203 0.500 0.500 B 0.500 0.500 0.797 B 0.500 0.500 0.203 B 0.500 0.203 0.500 B 0.500 0.797 0.500 B 0.797 0.500 0.500
null	Below is a description of a material.	The chemical contents are {'S': 1, 'Si': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.96 6.66 23.94 90 90 90 Si 0.000 0.000 0.522 Si 0.000 0.500 0.522 Si 0.500 0.000 0.466 Si 0.500 0.500 0.466 S 0.052 0.750 0.579 S 0.948 0.250 0.579 S 0.447 0.750 0.409 S 0.553 0.250 0.409
null	Below is a description of a material.	The chemical contents are {'Al': 16.0, 'Ce': 2.0, 'Pt': 9.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.0,0.0,0.67,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.52,0.37,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.13,0.27,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.12,0.0,0.0,0.0,0.13,0.12,0.0,0.0,0.0,0.0,0.0,0.13,0.0,1.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.16 11.18 11.18 65 79 79 Ce 0.773 0.227 0.227 Ce 0.227 0.773 0.773 Al 0.413 0.087 0.087 Al 0.609 0.509 0.273 Al 0.079 0.750 0.093 Al 0.921 0.907 0.250 Al 0.391 0.491 0.727 Al 0.000 0.611 0.389 Al -0.000 0.389 0.611 Al 0.204 0.104 0.488 Al 0.796 0.896 0.512 Al 0.391 0.727 0.491 Al 0.587 0.913 0.913 Al 0.921 0.250 0.907 Al 0.796 0.512 0.896 Al 0.079 0.093 0.750 Al 0.609 0.273 0.509 Al 0.204 0.488 0.104 Pt 0.660 0.655 0.024 Pt 0.000 0.000 0.000 Pt 0.127 0.373 0.373 Pt 0.500 0.742 0.258 Pt 0.873 0.627 0.627 Pt 0.660 0.024 0.655 Pt 0.340 0.345 0.976 Pt 0.500 0.258 0.742 Pt 0.340 0.976 0.345
null	Below is a description of a material.	The chemical contents are {'Na': 2.0, 'Se': 5.0, 'Si': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.06,0.0,0.0,1.0,0.18,0.41,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.15,0.18,0.0,0.07,0.0,0.21,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	9.41 9.41 10.91 90 90 90 Na 0.073 0.418 0.750 Na 0.927 0.582 0.250 Na 0.418 0.073 0.750 Na 0.582 0.927 0.250 Na 0.149 0.851 0.500 Na 0.851 0.149 0.000 Na 0.851 0.149 0.500 Na 0.149 0.851 0.000 Si 0.254 0.254 0.081 Si 0.746 0.746 0.581 Si 0.254 0.254 0.419 Si 0.746 0.746 0.919 Si 0.410 0.683 0.750 Si 0.317 0.590 0.250 Si 0.683 0.410 0.750 Si 0.590 0.317 0.250 Se 0.209 0.497 0.075 Se 0.497 0.209 0.075 Se 0.503 0.791 0.575 Se 0.209 0.497 0.425 Se 0.791 0.503 0.925 Se 0.503 0.791 0.925 Se 0.497 0.209 0.425 Se 0.791 0.503 0.575 Se 0.150 0.150 0.250 Se 0.179 0.726 0.750 Se 0.156 0.156 0.915 Se 0.844 0.844 0.415 Se 0.156 0.156 0.585 Se 0.844 0.844 0.085 Se 0.726 0.179 0.750 Se 0.274 0.821 0.250 Se 0.441 0.441 0.750 Se 0.821 0.274 0.250 Se 0.850 0.850 0.750 Se 0.559 0.559 0.250
null	Below is a description of a material.	The chemical contents are {'I': 1, 'Na': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.55 4.55 4.55 60 60 60 Na 0.000 0.000 0.000 I 0.500 0.500 0.500
null	Below is a description of a material.	The chemical contents are {'F': 5.0, 'Li': 1, 'Mn': 5.0, 'O': 3.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42,0.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.67,0.52,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.68,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.15,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.72,0.5,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.33 6.28 6.28 59 59 59 Li 0.647 0.608 0.608 Mn 0.993 0.969 0.969 Mn 0.219 0.289 0.289 Mn 0.639 0.133 0.614 Mn 0.639 0.614 0.133 Mn 0.129 0.625 0.625 O 0.384 0.400 0.400 O 0.847 0.388 0.388 O 0.861 0.849 0.849 F 0.387 0.872 0.392 F 0.387 0.392 0.872 F 0.866 0.378 0.864 F 0.866 0.864 0.378 F 0.386 0.869 0.869
null	Below is a description of a material.	The chemical contents are {'C': 2.0, 'Co': 1, 'Y': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.12,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.57 3.76 3.76 106 90 90 Y 0.000 0.997 0.003 Co 0.500 0.615 0.385 C 0.500 0.152 0.544 C 0.500 0.456 0.848
null	Below is a description of a material.	The chemical contents are {'I': 6.0, 'Pd': 1, 'Rb': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.29,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.13,0.0,0.09,0.12,0.0,0.19,0.48,0.0,0.57,0.0,1.0,0.0,0.0,0.0,0.18,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.18,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.1,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.1,0.0,0.07,0.0,0.45,0.0,0.0,0.11,0.16,0.0,0.1,0.0,0.15,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.15,0.0,0.1,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.84 12.31 14.52 90 90 90 Rb 0.288 0.007 0.860 Rb 0.788 0.493 0.640 Rb 0.712 0.507 0.140 Rb 0.212 0.993 0.360 Rb 0.712 0.993 0.140 Rb 0.212 0.507 0.360 Rb 0.288 0.493 0.860 Rb 0.788 0.007 0.640 Pd 0.733 0.750 0.399 Pd 0.233 0.750 0.101 Pd 0.267 0.250 0.601 Pd 0.767 0.250 0.899 I 0.041 0.250 0.790 I 0.228 0.531 0.106 I 0.728 0.969 0.394 I 0.228 0.969 0.106 I 0.728 0.531 0.394 I 0.772 0.469 0.894 I 0.272 0.031 0.606 I 0.459 0.750 0.290 I 0.959 0.750 0.210 I 0.541 0.250 0.710 I 0.035 0.750 0.492 I 0.985 0.250 0.283 I 0.965 0.250 0.508 I 0.465 0.250 0.992 I 0.015 0.750 0.717 I 0.515 0.750 0.783 I 0.272 0.469 0.606 I 0.485 0.250 0.217 I 0.045 0.750 0.919 I 0.545 0.750 0.581 I 0.955 0.250 0.081 I 0.455 0.250 0.419 I 0.535 0.750 0.008 I 0.772 0.031 0.894
null	Below is a description of a material.	The chemical contents are {'O': 4.0, 'Ta': 1, 'Tb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.07,0.0,0.13,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.07,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.03,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.16 5.35 5.48 90 90 96 Tb 0.000 0.750 0.765 Tb -0.000 0.250 0.235 Ta 0.500 0.250 0.695 Ta 0.500 0.750 0.305 O 0.732 0.009 0.562 O 0.268 0.491 0.562 O 0.268 0.991 0.438 O 0.732 0.509 0.438 O 0.251 0.600 0.082 O 0.749 0.900 0.082 O 0.749 0.400 0.918 O 0.251 0.100 0.918
null	Below is a description of a material.	The chemical contents are {'Ni': 3.0, 'Te': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.35,0.66,0.0,0.31,0.0,0.0,0.0,0.21,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.5,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.84,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.09,0.09,0.09,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.16,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.14,0.12,0.12,0.0,0.1,0.0,0.13,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.81 6.11 7.55 91 90 90 Ni 0.250 0.289 0.635 Ni 0.750 0.711 0.365 Ni 0.250 0.008 0.371 Ni 0.750 0.992 0.629 Ni 0.250 0.994 0.877 Ni 0.750 0.006 0.123 Te 0.250 0.718 0.118 Te 0.750 0.282 0.882 Te 0.250 0.713 0.619 Te 0.750 0.287 0.381
null	Below is a description of a material.	The chemical contents are {'Cl': 2.0, 'Fe': 1, 'H': 8.0, 'O': 4.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48,0.0,0.0,0.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.43,0.42,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.16,0.0,0.07,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.08,0.0,0.0,0.0,0.32,0.58,0.06,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.85 6.91 8.41 90 110 90 Fe -0.000 0.500 0.500 Fe 0.000 0.000 0.000 H 0.370 0.771 -0.001 H 0.630 0.271 0.501 H 0.630 0.229 0.001 H 0.372 0.775 0.185 H 0.628 0.275 0.315 H 0.628 0.225 0.815 H 0.372 0.725 0.685 H 0.370 0.729 0.499 H 0.109 0.427 0.207 H 0.109 0.073 0.707 H 0.891 0.573 0.793 H 0.113 0.073 0.348 H 0.887 0.573 0.152 H 0.887 0.927 0.652 H 0.113 0.427 0.848 H 0.891 0.927 0.293 Cl 0.323 0.263 0.080 Cl 0.677 0.763 0.420 Cl 0.677 0.737 0.920 Cl 0.323 0.237 0.580 O 0.740 0.281 0.435 O 0.001 0.500 0.750 O 0.999 0.000 0.750 O 0.999 0.500 0.250 O 0.001 1.000 0.250 O 0.260 0.719 0.565 O 0.740 0.219 0.935 O 0.260 0.781 0.065
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Ta': 1, 'Zn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.98 6.98 6.98 60 60 60 Ba 0.126 0.625 0.625 Ba 0.625 0.625 0.625 Ba 0.625 0.126 0.625 Ba 0.625 0.625 0.126 Ta 0.250 0.250 0.250 Zn 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Ca': 1, 'Re': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.92 6.92 6.92 60 60 60 Ba 0.119 0.627 0.627 Ba 0.627 0.627 0.627 Ba 0.627 0.119 0.627 Ba 0.627 0.627 0.119 Ca 0.250 0.250 0.250 Re 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Se': 1, 'Te': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.93 6.93 6.93 60 60 60 Ba 0.125 0.625 0.625 Ba 0.625 0.625 0.625 Ba 0.625 0.125 0.625 Ba 0.625 0.625 0.125 Te 0.000 0.000 0.000 Se 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Ge': 1, 'Na': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.55,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.73,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.22 7.22 7.22 60 60 60 Ba 0.131 0.623 0.623 Ba 0.623 0.623 0.623 Ba 0.623 0.131 0.623 Ba 0.623 0.623 0.131 Na 0.000 0.000 0.000 Ge 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Hg': 1, 'Pb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.13 7.13 7.13 60 60 60 Ba 0.123 0.626 0.626 Ba 0.626 0.626 0.626 Ba 0.626 0.123 0.626 Ba 0.626 0.626 0.123 Hg 0.250 0.250 0.250 Pb 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Bi': 3.0, 'Sb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	8.38 8.38 8.38 31 31 31 Bi 0.117 0.117 0.117 Bi 0.885 0.885 0.885 Bi 0.381 0.381 0.381 Sb 0.617 0.617 0.617
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Nb': 1, 'Y': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.12 7.12 7.12 60 60 60 Ba 0.126 0.625 0.625 Ba 0.625 0.625 0.625 Ba 0.625 0.126 0.625 Ba 0.625 0.625 0.126 Y 0.000 0.000 0.000 Nb 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'K': 4.0, 'Mn': 1, 'Mo': 4.0, 'O': 15.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.78,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.96,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	10.37 10.37 8.07 90 90 120 K 0.912 0.611 0.134 K 0.389 0.301 0.134 K 0.088 0.389 0.866 K 0.611 0.699 0.866 K 0.000 0.000 0.000 K 0.301 0.912 0.866 K 0.699 0.088 0.134 K 0.000 0.000 0.500 Mn 0.667 0.333 0.458 Mn 0.333 0.667 0.542 Mo 0.984 0.660 0.639 Mo 0.324 0.984 0.361 Mo 0.667 0.333 0.857 Mo 0.340 0.324 0.639 Mo 0.333 0.667 0.143 Mo 0.676 0.016 0.639 Mo 0.016 0.340 0.361 Mo 0.660 0.676 0.361 O 0.364 0.508 0.665 O 0.636 0.492 0.335 O 0.008 0.269 0.560 O 0.209 0.991 0.204 O 0.143 0.636 0.665 O 0.261 0.992 0.560 O 0.791 0.009 0.796 O 0.826 0.346 0.950 O 0.520 0.332 0.655 O 0.739 0.008 0.440 O 0.731 0.739 0.560 O 0.174 0.654 0.050 O 0.009 0.218 0.204 O 0.346 0.521 0.050 O 0.269 0.261 0.440 O 0.857 0.364 0.335 O 0.480 0.668 0.345 O 0.992 0.731 0.440 O 0.812 0.480 0.655 O 0.508 0.143 0.335 O 0.782 0.791 0.204 O 0.492 0.857 0.665 O 0.332 0.812 0.345 O 0.188 0.520 0.345 O 0.668 0.188 0.655 O 0.521 0.174 0.950 O 0.218 0.209 0.796 O 0.479 0.826 0.050 O 0.654 0.479 0.950 O 0.991 0.782 0.796
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Hf': 1, 'Li': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.25 7.25 7.25 60 60 60 Ba 0.128 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.128 0.624 Ba 0.624 0.624 0.128 Li 0.000 0.000 0.000 Hf 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Xe': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.34 4.34 4.34 119 119 60 Xe 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'B': 4.0, 'Ge': 1, 'O': 9.0, 'Rb': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.13,0.11,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.04,0.0,0.0,0.04,0.0,0.07,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.08,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.07,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.60 9.96 13.21 90 90 90 Rb 0.778 0.376 0.119 Rb 0.222 0.876 0.881 Rb 0.253 0.655 0.117 Rb 0.747 0.155 0.883 Rb 0.771 0.155 0.366 Rb 0.229 0.655 0.634 Rb 0.707 0.431 0.626 Rb 0.293 0.931 0.374 Ge 0.244 0.158 0.616 Ge 0.756 0.658 0.384 Ge 0.741 0.648 0.871 Ge 0.259 0.148 0.129 B 0.130 0.350 0.755 B 0.870 0.850 0.245 B 0.046 0.462 0.426 B 0.954 0.962 0.574 B 0.340 0.342 0.983 B 0.504 0.961 0.678 B 0.496 0.461 0.322 B 0.660 0.842 0.017 B 0.192 0.322 0.292 B 0.068 0.481 0.909 B 0.932 0.981 0.091 B 0.653 0.822 0.545 B 0.347 0.322 0.455 B 0.400 0.485 0.837 B 0.600 0.985 0.163 B 0.808 0.822 0.708 O 0.732 0.740 0.626 O 0.521 0.407 0.417 O 0.479 0.907 0.583 O 0.025 0.414 0.330 O 0.975 0.914 0.670 O 0.189 0.418 0.494 O 0.811 0.918 0.506 O 0.989 0.395 0.822 O 0.325 0.395 0.751 O 0.011 0.895 0.178 O 0.358 0.415 0.253 O 0.642 0.915 0.747 O 0.520 0.895 0.082 O 0.480 0.395 0.918 O 0.268 0.240 0.374 O 0.675 0.895 0.249 O 0.232 0.566 0.874 O 0.584 0.742 0.955 O 0.562 0.565 0.793 O 0.938 0.753 0.314 O 0.062 0.253 0.686 O 0.416 0.242 0.045 O 0.857 0.885 0.011 O 0.575 0.740 0.459 O 0.425 0.240 0.541 O 0.918 0.562 0.464 O 0.082 0.062 0.536 O 0.099 0.056 0.046 O 0.901 0.556 0.954 O 0.619 0.567 0.290 O 0.381 0.067 0.710 O 0.104 0.244 0.210 O 0.896 0.744 0.790 O 0.438 0.065 0.207 O 0.768 0.066 0.126 O 0.143 0.385 0.989
null	Below is a description of a material.	The chemical contents are {'Be': 1, 'Bi': 4.0, 'Re': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.67,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.39 6.39 6.39 60 60 60 Be 0.000 0.000 0.000 Re 0.250 0.250 0.250 Bi 0.124 0.625 0.625 Bi 0.625 0.625 0.625 Bi 0.625 0.124 0.625 Bi 0.625 0.625 0.124
null	Below is a description of a material.	The chemical contents are {'Be': 1, 'Ca': 4.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.12 6.12 6.12 60 60 60 Ca 0.127 0.624 0.624 Ca 0.624 0.624 0.624 Ca 0.624 0.127 0.624 Ca 0.624 0.624 0.127 Be 0.000 0.000 0.000 W 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Cr': 2.0, 'Na': 2.0, 'O': 7.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.62,0.23,0.0,0.0,0.0,0.0,0.63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.2,0.0,1.0,0.24,0.22,0.0,0.65,0.24,0.0,0.6,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.09,0.0,0.15,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.15,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.15,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.37 6.98 6.95 96 88 118 Na 0.677 0.940 0.623 Na 0.323 0.060 0.377 Na 0.251 0.365 0.841 Na 0.749 0.635 0.159 Cr 0.200 0.825 0.870 Cr 0.800 0.175 0.130 Cr 0.761 0.508 0.656 Cr 0.239 0.492 0.344 O 0.209 0.324 0.503 O 0.791 0.676 0.497 O 0.375 0.456 0.169 O 0.625 0.544 0.831 O 0.353 0.747 0.442 O 0.647 0.253 0.558 O 0.237 0.021 0.741 O 0.123 0.866 0.086 O 0.763 0.979 0.259 O 0.004 0.569 0.754 O 0.597 0.208 0.123 O 0.403 0.792 0.877 O 0.877 0.134 0.914 O -0.004 0.431 0.246
null	Below is a description of a material.	The chemical contents are {'Be': 1, 'Cu': 4.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.74 4.74 4.74 60 60 60 Be 0.000 0.000 0.000 Cu 0.375 0.375 0.375 Cu 0.375 0.876 0.375 Cu 0.375 0.375 0.876 Cu 0.876 0.375 0.375 W 0.750 0.750 0.750
null	Below is a description of a material.	The chemical contents are {'Ce': 3.0, 'Ni': 2.0, 'Si': 8.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.61,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.54,0.0,0.0,0.0,0.0,0.0,0.18,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.23,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69,0.0,0.0,0.0,0.64,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.14 4.24 13.12 90 99 90 Ce 0.000 0.000 0.000 Ce 0.688 0.500 0.375 Ce 0.312 0.500 0.625 Si 0.595 0.000 0.191 Si 0.405 0.000 0.809 Si 0.776 0.000 0.552 Si 0.224 0.000 0.448 Si 0.903 0.500 0.806 Si 0.097 0.500 0.194 Si 0.546 0.500 0.091 Si 0.454 0.500 0.909 Ni 0.866 0.000 0.733 Ni 0.134 0.000 0.267
null	Below is a description of a material.	The chemical contents are {'Bi': 6.0, 'O': 20.0, 'Sr': 1, 'V': 4.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.24,0.0,0.24,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.09,0.0,0.0,0.0,0.0,0.29,0.0,0.0,1.0,0.0,0.72,0.0,0.62,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.52,0.0,0.0,0.07,0.0,0.0,0.11,0.14,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.07,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.14,0.08,0.0,0.0,0.0,0.0,0.22,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.09,0.07,0.07,0.0,0.07,0.12,0.1,0.0,0.0,0.12,0.0,0.0,0.0,0.08,0.14,0.0,0.0,0.0,0.08,0.0,0.11,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.14 7.97 9.33 106 94 112 Sr 0.000 0.500 -0.000 V 0.052 0.776 0.756 V 0.653 0.102 0.738 V 0.948 0.224 0.244 V 0.347 0.898 0.262 Bi 0.569 0.704 0.917 Bi 0.192 0.215 0.669 Bi 0.808 0.785 0.331 Bi 0.431 0.296 0.083 Bi 0.657 0.370 0.488 Bi 0.343 0.630 0.512 O 0.113 0.739 0.279 O 0.634 0.868 0.687 O 0.870 0.664 0.849 O 0.324 0.415 0.900 O 0.457 0.116 0.626 O 0.676 0.585 0.100 O 0.242 0.689 0.757 O 0.453 0.472 0.636 O 0.547 0.528 0.364 O 0.942 0.699 0.564 O 0.647 0.190 0.927 O 0.353 0.810 0.073 O 0.058 0.301 0.436 O 0.156 0.024 0.834 O 0.366 0.132 0.313 O 0.758 0.311 0.243 O 0.543 0.884 0.374 O 0.844 0.976 0.166 O 0.887 0.261 0.721 O 0.130 0.336 0.151
null	Below is a description of a material.	The chemical contents are {'F': 3.0, 'Rb': 1, 'V': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.14 4.14 4.14 90 90 90 Rb 0.000 0.000 0.000 V 0.500 0.500 0.500 F 0.000 0.500 0.500 F 0.500 0.000 0.500 F 0.500 0.500 0.000
null	Below is a description of a material.	The chemical contents are {'As': 2.0, 'F': 2.0, 'O': 1, 'Sr': 2.0, 'Ti': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.0,1.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.58,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.08,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 4.05 10.16 101 101 90 Sr 0.323 0.323 0.647 Sr 0.677 0.677 0.353 Ti 0.000 0.500 0.000 Ti 0.500 0.000 0.000 As 0.907 0.907 0.815 As 0.093 0.093 0.185 O 0.500 0.500 0.000 F 0.750 0.250 0.500 F 0.250 0.750 0.500
null	Below is a description of a material.	The chemical contents are {'Mg': 1, 'Y': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.78 3.78 3.78 90 90 90 Y 0.000 0.000 0.000 Mg 0.500 0.500 0.500
null	Below is a description of a material.	The chemical contents are {'Cl': 2.0, 'N': 6.0, 'Ni': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.98,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.59,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.47 5.47 5.47 60 60 60 Ni 0.000 0.000 0.000 N 0.761 0.239 0.239 N 0.761 0.239 0.761 N 0.761 0.761 0.239 N 0.239 0.761 0.761 N 0.239 0.761 0.239 N 0.239 0.239 0.761 Cl 0.250 0.250 0.250 Cl 0.750 0.750 0.750
null	Below is a description of a material.	The chemical contents are {'F': 1, 'Mn': 1, 'O': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.59,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.07,0.11,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.71 3.04 14.03 90 90 90 Mn 0.030 0.000 0.001 Mn 0.894 0.000 0.669 Mn 0.042 0.000 0.333 Mn 0.458 0.500 0.833 Mn 0.470 0.500 0.501 Mn 0.606 0.500 0.169 O 0.196 0.500 0.934 O 0.304 0.000 0.434 O 0.644 0.000 0.567 O 0.768 0.000 0.231 O 0.856 0.500 0.067 O 0.732 0.500 0.731 F 0.823 0.500 0.396 F 0.677 0.000 0.896 F 0.231 0.000 0.765 F 0.377 0.000 0.105 F 0.123 0.500 0.605 F 0.269 0.500 0.265
null	Below is a description of a material.	The chemical contents are {'Mo': 3.0, 'Se': 2.0, 'Te': 6.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.50 3.50 37.38 89 90 120 Te 0.333 0.667 0.331 Te 0.667 0.334 0.040 Te 0.667 0.333 0.425 Te 0.667 0.333 0.139 Te 0.667 0.333 0.524 Te 0.333 0.667 0.233 Mo 0.333 0.667 0.089 Mo 0.333 0.667 0.474 Mo 0.667 0.333 0.282 W 0.667 0.333 0.657 Se 0.333 0.666 0.700 Se 0.333 0.667 0.614
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Bi': 1, 'Mg': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.23 7.23 7.23 60 60 60 Ba 0.129 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.129 0.624 Ba 0.624 0.624 0.129 Mg 0.000 0.000 0.000 Bi 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 1, 'K': 1, 'Zn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.76 5.76 5.76 60 60 60 K 0.000 0.000 0.000 Ba 0.750 0.750 0.750 Zn 0.500 0.500 0.500
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Mn': 1, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.04,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.79 6.79 6.79 60 60 60 Ba 0.125 0.625 0.625 Ba 0.625 0.625 0.625 Ba 0.625 0.125 0.625 Ba 0.625 0.625 0.125 Mn 0.250 0.250 0.250 W 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Se': 1, 'V': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.02 7.02 7.02 60 60 60 Ba 0.127 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.127 0.624 Ba 0.624 0.624 0.127 V 0.000 0.000 0.000 Se 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'In': 1, 'Ta': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.98 6.98 6.98 60 60 60 Ba 0.124 0.625 0.625 Ba 0.625 0.625 0.625 Ba 0.625 0.124 0.625 Ba 0.625 0.625 0.124 Ta 0.000 0.000 0.000 In 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ag': 1, 'Cr': 1, 'S': 4.0, 'Ti': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.93,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.31,0.0,0.58,0.0,0.24,0.0,0.0,0.17,0.0,0.0,0.14,0.0,0.38,0.07,0.15,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.52,0.0,1.0,0.0,0.11,0.26,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.06,0.09,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.27,0.0,0.52,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.47 5.92 6.45 88 90 90 Ti 0.500 0.500 0.500 Cr 0.000 0.000 0.500 Ag 0.000 0.000 0.000 S 0.000 0.328 0.718 S 0.500 0.829 0.714 S 0.500 0.171 0.286 S 0.000 0.672 0.282
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Bi': 1, 'Nb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.04 7.04 7.04 60 60 60 Ba 0.127 0.624 0.624 Ba 0.624 0.624 0.624 Ba 0.624 0.127 0.624 Ba 0.624 0.624 0.127 Nb 0.000 0.000 0.000 Bi 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Ca': 1, 'Sn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.57,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.30 7.30 7.30 60 60 60 Ba 0.119 0.627 0.627 Ba 0.627 0.627 0.627 Ba 0.627 0.119 0.627 Ba 0.627 0.627 0.119 Ca 0.250 0.250 0.250 Sn 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'K': 1, 'Mo': 1, 'O': 8.0, 'P': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.36,0.54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.07,0.16,0.0,0.17,0.0,0.0,0.0,0.15,0.0,0.0,0.08,0.2,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.07,0.09,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.08,0.04,0.08,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.07,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.08 11.40 11.76 90 90 90 K 0.718 0.061 0.633 K 0.782 0.439 0.133 K 0.282 0.939 0.367 K 0.218 0.561 0.867 Mo 0.741 0.833 0.878 Mo 0.759 0.667 0.378 Mo 0.259 0.167 0.122 Mo 0.241 0.333 0.622 P 0.254 0.861 0.061 P 0.754 0.361 0.439 P 0.746 0.139 0.939 P 0.246 0.639 0.561 P 0.264 0.642 0.193 P 0.764 0.142 0.307 P 0.736 0.358 0.807 P 0.236 0.858 0.693 O 0.954 0.654 0.529 O 0.454 0.154 0.971 O 0.046 0.346 0.471 O 0.778 0.426 0.914 O 0.722 0.074 0.414 O 0.222 0.574 0.086 O 0.689 0.689 0.856 O 0.811 0.811 0.356 O 0.311 0.311 0.144 O 0.189 0.189 0.644 O 0.424 0.891 0.791 O 0.076 0.609 0.291 O 0.546 0.846 0.029 O 0.278 0.926 0.586 O 0.288 0.718 0.674 O 0.578 0.309 0.532 O 0.712 0.282 0.326 O 0.788 0.218 0.826 O 0.447 0.365 0.766 O 0.053 0.135 0.266 O 0.553 0.635 0.234 O 0.947 0.865 0.734 O 0.576 0.109 0.209 O 0.922 0.191 0.032 O 0.422 0.691 0.468 O 0.078 0.809 0.968 O 0.316 0.517 0.599 O 0.184 0.983 0.099 O 0.684 0.483 0.401 O 0.816 0.017 0.901 O 0.212 0.782 0.174 O 0.924 0.391 0.709
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Hg': 1, 'Sb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.07 7.07 7.07 60 60 60 Ba 0.121 0.626 0.626 Ba 0.626 0.626 0.626 Ba 0.626 0.121 0.626 Ba 0.626 0.626 0.121 Hg 0.250 0.250 0.250 Sb 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Ni': 1, 'Sn': 1, 'U': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.84,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.72 4.72 4.72 59 59 59 U 0.500 0.500 0.500 Ni 1.000 1.000 1.000 Sn 0.250 0.250 0.250
null	Below is a description of a material.	The chemical contents are {'Ba': 4.0, 'Cd': 1, 'Se': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.07 7.07 7.07 60 60 60 Ba 0.121 0.626 0.626 Ba 0.626 0.626 0.626 Ba 0.626 0.121 0.626 Ba 0.626 0.626 0.121 Cd 0.250 0.250 0.250 Se 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Be': 1, 'Ir': 4.0, 'Mn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.88,0.0,0.0,0.0,0.0,0.0,0.83,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.09 5.09 5.09 60 60 60 Mn 0.750 0.750 0.750 Be 0.000 0.000 0.000 Ir 0.375 0.375 0.375 Ir 0.375 0.876 0.375 Ir 0.375 0.375 0.876 Ir 0.876 0.375 0.375
null	Below is a description of a material.	The chemical contents are {'Li': 1, 'O': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.13 3.13 7.64 90 90 120 Li 0.000 0.000 0.000 Li 0.000 0.000 0.500 Li 0.333 0.667 0.250 Li 0.667 0.333 0.750 O 0.333 0.667 0.648 O 0.667 0.333 0.148 O 0.667 0.333 0.352 O 0.333 0.667 0.852
null	Below is a description of a material.	The chemical contents are {'Sb': 1, 'U': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.38 4.38 4.38 59 59 59 U 0.500 0.500 0.500 Sb 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Cr': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.61,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.55 2.55 2.55 60 60 60 Cr 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'Co': 1, 'Mn': 1, 'O': 4.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.99,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28,0.28,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.21 4.35 5.21 89 107 33 Mn 0.499 0.506 0.005 Co 0.499 0.006 0.505 O 0.194 0.117 0.700 O 0.195 0.006 0.202 O 0.802 0.006 0.808 O 0.804 0.896 0.310
null	Below is a description of a material.	The chemical contents are {'Al': 1, 'H': 6.0, 'La': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.83,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.77,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.32 4.32 4.32 98 98 98 La 0.500 0.500 0.500 Al 0.000 0.000 0.000 H 0.938 0.292 0.292 H 0.292 0.292 0.938 H 0.292 0.938 0.292 H 0.062 0.708 0.708 H 0.708 0.708 0.062 H 0.708 0.062 0.708
null	Below is a description of a material.	The chemical contents are {'Cl': 6.0, 'Mn': 1, 'Rb': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.86,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.62,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.88 6.88 6.88 60 60 60 Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Mn 0.000 0.000 0.000 Cl 0.234 0.766 0.766 Cl 0.766 0.234 0.234 Cl 0.766 0.234 0.766 Cl 0.766 0.766 0.234 Cl 0.234 0.234 0.766 Cl 0.234 0.766 0.234
null	Below is a description of a material.	The chemical contents are {'Ag': 2.0, 'F': 5.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.94,1.0,0.0,0.0,0.0,0.05,0.0,0.0,0.63,0.0,0.0,0.12,0.09,0.0,0.0,0.0,0.45,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.05,0.0,0.0,0.0,0.15,0.0,0.0,0.09,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.1,0.1,0.05,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.08,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.87 7.46 11.11 89 90 105 Ag 0.500 0.500 -0.000 Ag 0.500 0.000 0.500 Ag 0.061 0.721 0.250 Ag 0.939 0.279 0.750 Ag 0.500 -0.000 0.000 Ag 0.500 0.500 0.500 Ag 0.055 0.209 0.233 Ag 0.945 0.791 0.767 F 0.172 0.334 0.590 F 0.893 0.647 0.921 F 0.107 0.353 0.079 F 0.821 0.553 0.682 F 0.285 0.446 0.839 F 0.179 0.447 0.318 F 0.828 0.666 0.410 F 0.715 0.554 0.161 F 0.423 0.878 0.337 F 0.519 0.160 0.140 F 0.059 0.028 0.855 F 0.941 0.972 0.145 F 0.002 0.066 0.383 F 0.481 0.840 0.860 F 0.335 0.765 0.093 F 0.665 0.235 0.907 F 0.590 0.266 0.428 F 0.410 0.734 0.572 F 0.577 0.122 0.663 F -0.002 0.934 0.617
null	Below is a description of a material.	The chemical contents are {'Ce': 1, 'O': 3.0, 'Ti': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.93 3.93 3.93 90 90 90 Ce 0.000 0.000 0.000 Ti 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000
null	Below is a description of a material.	The chemical contents are {'Mo': 1, 'S': 1, 'Se': 1, 'Te': 2.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.40 3.40 35.14 89 89 120 Te 0.333 0.666 0.729 Te 0.667 0.333 0.414 Te 0.666 0.333 0.520 Te 0.334 0.668 0.621 Mo 0.333 0.666 0.467 Mo 0.667 0.333 0.270 W 0.333 0.667 0.091 W 0.667 0.334 0.675 Se 0.333 0.666 0.317 Se 0.333 0.667 0.224 S 0.667 0.334 0.048 S 0.666 0.333 0.133
null	Below is a description of a material.	The chemical contents are {'Cu': 2.0, 'Li': 1, 'Si': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.09 4.09 4.09 60 60 60 Li 0.500 0.500 0.500 Si 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750
null	Below is a description of a material.	The chemical contents are {'Ga': 2.0, 'S': 5.0, 'Zn': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.05,0.14,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.58,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.79,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.69 3.69 15.28 83 83 60 Zn 0.866 0.866 0.401 Zn 0.134 0.134 0.599 Ga 0.724 0.724 0.828 Ga 0.276 0.276 0.172 S 0.500 0.500 0.500 S 0.773 0.773 0.682 S 0.227 0.227 0.318 S 0.632 0.632 0.104 S 0.368 0.368 0.896
null	Below is a description of a material.	The chemical contents are {'O': 1, 'Sr': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.68,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.66 3.66 3.66 60 60 59 Sr 0.500 0.500 0.500 O 0.000 0.000 0.000
null	Below is a description of a material.	The chemical contents are {'F': 1, 'Li': 2.0, 'O': 2.0, 'V': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.82 2.82 7.28 90 90 120 Li 0.333 0.667 0.658 Li 0.667 0.333 0.342 V 0.000 0.000 0.000 O 0.333 0.667 0.164 O 0.667 0.333 0.836 F 0.000 0.000 0.500
null	Below is a description of a material.	The chemical contents are {'Na': 1, 'O': 2.0, 'V': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.65 5.65 5.65 30 30 30 Na 0.000 0.000 0.000 V 0.500 0.500 0.500 O 0.765 0.765 0.765 O 0.235 0.235 0.235
null	Below is a description of a material.	The chemical contents are {'Nb': 3.0, 'Si': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,1.0,0.0,0.58,0.0,0.41,0.0,0.0,0.0,0.0,0.16,0.16,0.37,0.04,0.0,0.76,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32,0.08,0.0,0.06,0.0,0.0,0.16,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.07,0.14,0.0,0.0,0.0,0.14,0.08,0.0,0.0,0.04,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.22 10.28 10.28 90 90 90 Nb 0.476 0.603 0.766 Nb 0.217 0.153 0.835 Nb 0.717 0.335 0.847 Nb 0.283 0.835 0.347 Nb 0.783 0.653 0.335 Nb 0.783 0.847 0.165 Nb 0.283 0.665 0.153 Nb 0.764 0.560 0.037 Nb 0.264 0.963 0.060 Nb 0.264 0.537 0.440 Nb 0.764 0.940 0.463 Nb 0.236 0.440 0.963 Nb 0.736 0.037 0.940 Nb 0.736 0.463 0.560 Nb 0.236 0.060 0.537 Nb 0.717 0.165 0.653 Nb 0.976 0.234 0.103 Nb 0.976 0.266 0.397 Nb 0.476 0.897 0.734 Nb 0.524 0.397 0.234 Nb 0.024 0.766 0.897 Nb 0.024 0.734 0.603 Nb 0.524 0.103 0.266 Nb 0.217 0.347 0.665 Si 0.029 0.045 0.277 Si 0.529 0.723 0.545 Si 0.529 0.777 0.955 Si 0.029 0.455 0.223 Si 0.971 0.955 0.723 Si 0.471 0.277 0.455 Si 0.471 0.223 0.045 Si 0.971 0.545 0.777
null	Below is a description of a material.	The chemical contents are {'C': 1, 'O': 1, 'S': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.99 3.99 3.99 98 98 98 C 0.202 0.202 0.202 S 0.468 0.468 0.468 O -0.000 -0.000 -0.000
null	Below is a description of a material.	The chemical contents are {'Li': 1, 'Ni': 1, 'O': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.05,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.97 4.97 4.97 33 33 33 Li 1.000 1.000 1.000 Ni 0.500 0.500 0.500 O 0.759 0.759 0.759 O 0.241 0.241 0.241
null	Below is a description of a material.	The chemical contents are {'Mo': 1, 'Te': 4.0, 'W': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.01,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.57 3.57 38.04 90 90 120 Te 0.333 0.667 0.330 Te 0.333 0.667 0.705 Te 0.667 0.333 0.047 Te 0.667 0.333 0.422 Te 0.667 0.333 0.142 Te 0.667 0.333 0.517 Te 0.333 0.667 0.234 Te 0.333 0.667 0.609 Mo 0.333 0.667 0.095 Mo 0.333 0.667 0.469 W 0.667 0.333 0.282 W 0.667 0.333 0.657
null	Below is a description of a material.	The chemical contents are {'Hg': 1, 'O': 3.0, 'Sn': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.89,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.21,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.13,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.74 5.74 5.74 59 59 59 Sn 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 O 0.147 0.750 0.353 O 0.750 0.353 0.147 O 0.353 0.147 0.750 O 0.853 0.250 0.647 O 0.647 0.853 0.250 O 0.250 0.647 0.853
null	Below is a description of a material.	The chemical contents are {'Br': 2.0, 'Pb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.51,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.37,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.99,0.0,0.0,0.0,0.36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.51,0.0,0.21,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.22,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.1,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.08,0.0,0.0,0.14,0.0,0.0,0.0,0.13,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.10 7.10 4.58 90 90 90 Pb 0.000 0.000 0.000 Pb 0.500 0.500 0.500 Br 0.301 0.301 0.000 Br 0.699 0.699 0.000 Br 0.801 0.199 0.500 Br 0.199 0.801 0.500
null	Below is a description of a material.	The chemical contents are {'B': 1, 'Fe': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.96,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.06,0.06,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.28 4.28 4.28 109 109 108 Fe 0.250 0.750 0.000 Fe 0.250 0.250 0.500 Fe 0.750 0.250 1.000 Fe 0.750 0.750 0.500 B 0.750 0.250 0.500 B 0.250 0.750 0.500
null	Below is a description of a material.	The chemical contents are {'Cl': 1, 'H': 1, 'Hg': 1, 'O': 4.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47,0.0,0.0,0.06,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.98,0.0,0.0,0.09,0.0,0.0,0.48,0.2,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.55,0.0,0.0,0.0,0.0,0.0,0.39,0.0,0.0,0.0,0.17,0.0,0.0,0.26,0.15,0.0,0.0,0.26,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49,0.0,0.08,0.0,0.07,0.0,0.19,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.1,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.08,0.1,0.0,0.0,0.11,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.73 7.23 11.39 90 90 90 Hg 0.436 0.000 0.750 Hg 0.564 0.000 0.250 Hg 0.436 0.500 0.750 Hg 0.564 0.500 0.250 H 0.455 0.750 0.413 H 0.455 0.250 0.087 H 0.545 0.250 0.587 H 0.545 0.750 0.913 Cl 0.002 0.750 0.557 Cl 0.002 0.250 0.943 Cl 0.998 0.250 0.443 Cl 0.998 0.750 0.057 O 0.420 0.250 0.659 O 0.069 0.582 0.129 O 0.069 0.418 0.371 O 0.931 0.082 0.871 O 0.931 0.918 0.629 O 0.674 0.750 0.049 O 0.674 0.250 0.451 O 0.326 0.750 0.549 O 0.069 0.082 0.371 O 0.069 0.918 0.129 O 0.931 0.582 0.629 O 0.931 0.418 0.871 O 0.580 0.750 0.341 O 0.580 0.250 0.159 O 0.420 0.750 0.841 O 0.326 0.250 0.951
null	Below is a description of a material.	The chemical contents are {'As': 1, 'Pd': 1, 'Yb': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.06,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.92 6.92 4.18 90 90 120 Yb -0.000 0.579 0.500 Yb 0.421 0.421 0.500 Yb 0.579 -0.000 0.500 As 0.667 0.333 0.000 As 0.333 0.667 0.000 As 0.000 0.000 0.500 Pd 0.242 -0.000 0.000 Pd 0.758 0.758 0.000 Pd -0.000 0.242 0.000
null	Below is a description of a material.	The chemical contents are {'Bi': 1, 'Cu': 1, 'Eu': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6,0.0,0.0,0.0,0.09,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.55 4.55 8.04 90 90 120 Eu 0.000 0.000 0.000 Eu 0.000 0.000 0.500 Cu 0.667 0.333 0.250 Cu 0.333 0.667 0.750 Bi 0.333 0.667 0.250 Bi 0.667 0.333 0.750
null	Below is a description of a material.	The chemical contents are {'F': 3.0, 'Fe': 1, 'Li': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.53,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48,0.0,0.24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.06,0.12,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.1,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17,0.0,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.12,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.07,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.81 4.99 7.25 90 90 106 Li 0.000 0.000 0.000 Li 0.000 0.000 0.500 Fe 0.245 0.489 0.250 Fe 0.755 0.511 0.750 F 0.095 0.189 0.750 F 0.361 0.721 0.573 F 0.361 0.721 0.927 F 0.639 0.279 0.427 F 0.905 0.811 0.250 F 0.639 0.279 0.073
null	Below is a description of a material.	The chemical contents are {'Cl': 6.0, 'K': 2.0, 'Tc': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.0,0.0,0.0,0.0,0.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.89 6.89 6.89 60 60 60 K 0.750 0.750 0.750 K 0.250 0.250 0.250 Tc 0.000 0.000 0.000 Cl 0.243 0.757 0.757 Cl 0.243 0.757 0.243 Cl 0.757 0.243 0.757 Cl 0.757 0.243 0.243 Cl 0.757 0.757 0.243 Cl 0.243 0.243 0.757
null	Below is a description of a material.	The chemical contents are {'Au': 1, 'Sb': 2.0, 'Sm': 1} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,1.0,0.0,0.0,0.0,0.0,0.0,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.34,0.03,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.11,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24,0.0,0.0,0.0,0.08,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.04,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.44 4.44 10.16 90 90 90 Sm 0.750 0.750 0.752 Sm 0.250 0.250 0.248 Sb 0.250 0.750 0.000 Sb 0.750 0.250 0.000 Sb 0.750 0.750 0.316 Sb 0.250 0.250 0.684 Au 0.250 0.750 0.500 Au 0.750 0.250 0.500
null	Below is a description of a material.	The chemical contents are {'La': 1, 'Mg': 1, 'Si': 2.0} . The XRD peaks is 0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.82,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.66,0.0,0.0,0.0,0.0,0.23,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.33 4.33 18.75 96 96 90 La 0.548 0.798 0.596 La 0.298 0.048 0.096 La 0.702 0.952 0.904 La 0.452 0.202 0.404 Mg 0.375 0.625 0.250 Mg 0.875 0.125 0.250 Mg 0.125 0.875 0.750 Mg 0.625 0.375 0.750 Si 0.014 0.264 0.528 Si 0.236 0.486 0.972 Si 0.173 0.423 0.845 Si 0.077 0.327 0.655 Si 0.986 0.736 0.472 Si 0.764 0.514 0.028 Si 0.827 0.577 0.155 Si 0.923 0.673 0.345

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YAML Metadata Warning: The task_categories "text2text-generation" is not in the official list: text-classification, token-classification, table-question-answering, question-answering, zero-shot-classification, translation, summarization, feature-extraction, text-generation, fill-mask, sentence-similarity, text-to-speech, text-to-audio, automatic-speech-recognition, audio-to-audio, audio-classification, audio-text-to-text, voice-activity-detection, depth-estimation, image-classification, object-detection, image-segmentation, text-to-image, image-to-text, image-to-image, image-to-video, unconditional-image-generation, video-classification, reinforcement-learning, robotics, tabular-classification, tabular-regression, tabular-to-text, table-to-text, multiple-choice, text-ranking, text-retrieval, time-series-forecasting, text-to-video, image-text-to-text, visual-question-answering, document-question-answering, zero-shot-image-classification, graph-ml, mask-generation, zero-shot-object-detection, text-to-3d, image-to-3d, image-feature-extraction, video-text-to-text, keypoint-detection, visual-document-retrieval, any-to-any, video-to-video, other

diffractgpt_jarvis_dft (XRD Spectra → Structure)

Goal. Map a textual description of a material (composition + XRD peaks, etc.) to a compact crystal structure description (lattice lengths, angles, fractional coordinates, atom types).

Data Fields

id (str): source identifier (e.g., POSCAR/JVASP id).
instruction (str): the generic instruction.
input (str): material description (composition, XRD, etc.).
output (str): target structure text (lattice lengths/angles + fractional coords).

Splits

train.json
test.json

Quickstart

from datasets import load_dataset

ds = load_dataset("knc6/diffractgpt_jarvis_dft", data_files={
    "train": "train.json",
    "test": "test.json"
})
print(ds)
print(ds["train"][0])

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