# generated using pymatgen
data_OsW47S96
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW47S96
_chemical_formula_sum   'Os1 W47 S96'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Os  Os1  1  -0.000001  0.736886  0.500001  1
  W  W2  1  0.085218  0.880122  0.500000  1
  W  W3  1  0.000000  0.497334  0.499998  1
  W  W4  1  0.083625  0.625547  0.499998  1
  W  W5  1  0.167672  0.748896  0.499998  1
  W  W6  1  0.249180  0.875924  0.499996  1
  W  W7  1  0.000000  0.249468  0.499997  1
  W  W8  1  0.083038  0.374825  0.499997  1
  W  W9  1  0.167273  0.499126  0.499998  1
  W  W10  1  0.248850  0.625431  0.499997  1
  W  W11  1  0.331796  0.750882  0.499995  1
  W  W12  1  0.416253  0.875676  0.499994  1
  W  W13  1  0.000000  0.000631  0.499998  1
  W  W14  1  0.084172  0.125650  0.499998  1
  W  W15  1  0.167423  0.249128  0.499996  1
  W  W16  1  0.250706  0.375320  0.499996  1
  W  W17  1  0.332986  0.499324  0.499997  1
  W  W18  1  0.416383  0.625939  0.499995  1
  W  W19  1  0.500000  0.749921  0.499993  1
  W  W20  1  0.583747  0.875677  0.499994  1
  W  W21  1  0.167589  -0.000515  0.499998  1
  W  W22  1  0.250138  0.125535  0.499996  1
  W  W23  1  0.333002  0.249925  0.499997  1
  W  W24  1  0.415558  0.375696  0.499997  1
  W  W25  1  0.500000  0.500313  0.499995  1
  W  W26  1  0.583617  0.625939  0.499995  1
  W  W27  1  0.668204  0.750881  0.499994  1
  W  W28  1  0.750820  0.875925  0.499998  1
  W  W29  1  0.333145  -0.000171  0.499994  1
  W  W30  1  0.416810  0.125831  0.499996  1
  W  W31  1  0.500000  0.249331  0.499998  1
  W  W32  1  0.584442  0.375696  0.499998  1
  W  W33  1  0.667014  0.499323  0.499997  1
  W  W34  1  0.751150  0.625431  0.499999  1
  W  W35  1  0.832329  0.748896  0.499998  1
  W  W36  1  0.914782  0.880121  0.500000  1
  W  W37  1  0.500000  0.000161  0.499995  1
  W  W38  1  0.583190  0.125831  0.499998  1
  W  W39  1  0.666998  0.249926  0.499998  1
  W  W40  1  0.749294  0.375320  0.499998  1
  W  W41  1  0.832727  0.499126  0.499999  1
  W  W42  1  0.916375  0.625547  0.499999  1
  W  W43  1  0.666855  -0.000171  0.499996  1
  W  W44  1  0.749862  0.125535  0.499998  1
  W  W45  1  0.832577  0.249128  0.499998  1
  W  W46  1  0.916962  0.374825  0.499998  1
  W  W47  1  0.832411  -0.000515  0.499998  1
  W  W48  1  0.915828  0.125650  0.499997  1
  S  S49  1  0.078252  0.791531  0.395973  1
  S  S50  1  0.167709  0.917389  0.386585  1
  S  S51  1  0.083455  0.541071  0.390749  1
  S  S52  1  0.166519  0.666776  0.388202  1
  S  S53  1  0.248733  0.792302  0.388666  1
  S  S54  1  0.333110  0.916734  0.389168  1
  S  S55  1  0.083742  0.291233  0.389804  1
  S  S56  1  0.166786  0.415970  0.389147  1
  S  S57  1  0.249958  0.541794  0.389402  1
  S  S58  1  0.332551  0.667137  0.389611  1
  S  S59  1  0.416093  0.792014  0.389915  1
  S  S60  1  0.500000  0.916816  0.389538  1
  S  S61  1  0.083840  0.042230  0.389664  1
  S  S62  1  0.167144  0.166471  0.388649  1
  S  S63  1  0.250057  0.291791  0.389244  1
  S  S64  1  0.333157  0.416769  0.388436  1
  S  S65  1  0.416300  0.542165  0.389959  1
  S  S66  1  0.500000  0.666943  0.389413  1
  S  S67  1  0.583907  0.792014  0.389915  1
  S  S68  1  0.666890  0.916734  0.389167  1
  S  S69  1  0.250302  0.042002  0.389433  1
  S  S70  1  0.333419  0.166837  0.388910  1
  S  S71  1  0.416612  0.291904  0.389871  1
  S  S72  1  0.500000  0.416727  0.389918  1
  S  S73  1  0.583699  0.542164  0.389959  1
  S  S74  1  0.667449  0.667137  0.389610  1
  S  S75  1  0.751268  0.792301  0.388665  1
  S  S76  1  0.832291  0.917389  0.386584  1
  S  S77  1  0.416497  0.042084  0.389748  1
  S  S78  1  0.500000  0.166692  0.388866  1
  S  S79  1  0.583387  0.291904  0.389871  1
  S  S80  1  0.666843  0.416769  0.388435  1
  S  S81  1  0.750042  0.541794  0.389403  1
  S  S82  1  0.833481  0.666777  0.388202  1
  S  S83  1  0.921748  0.791531  0.395972  1
  S  S84  1  0.000000  0.917995  0.389732  1
  S  S85  1  0.583503  0.042084  0.389748  1
  S  S86  1  0.666582  0.166837  0.388909  1
  S  S87  1  0.749943  0.291791  0.389243  1
  S  S88  1  0.833215  0.415970  0.389146  1
  S  S89  1  0.916545  0.541071  0.390749  1
  S  S90  1  -0.000000  0.660784  0.383070  1
  S  S91  1  0.749699  0.042002  0.389432  1
  S  S92  1  0.832856  0.166471  0.388649  1
  S  S93  1  0.916258  0.291232  0.389804  1
  S  S94  1  0.000000  0.415240  0.388325  1
  S  S95  1  0.916161  0.042230  0.389663  1
  S  S96  1  0.000000  0.166299  0.389564  1
  S  S97  1  0.078251  0.791530  0.604027  1
  S  S98  1  0.167709  0.917389  0.613421  1
  S  S99  1  0.083455  0.541071  0.609253  1
  S  S100  1  0.166519  0.666776  0.611800  1
  S  S101  1  0.248732  0.792301  0.611338  1
  S  S102  1  0.333110  0.916735  0.610838  1
  S  S103  1  0.083742  0.291233  0.610200  1
  S  S104  1  0.166785  0.415970  0.610857  1
  S  S105  1  0.249958  0.541794  0.610600  1
  S  S106  1  0.332551  0.667137  0.610392  1
  S  S107  1  0.416092  0.792014  0.610091  1
  S  S108  1  0.500000  0.916816  0.610468  1
  S  S109  1  0.083838  0.042230  0.610340  1
  S  S110  1  0.167145  0.166471  0.611356  1
  S  S111  1  0.250057  0.291791  0.610760  1
  S  S112  1  0.333158  0.416769  0.611566  1
  S  S113  1  0.416301  0.542164  0.610043  1
  S  S114  1  0.500000  0.666943  0.610591  1
  S  S115  1  0.583908  0.792014  0.610090  1
  S  S116  1  0.666891  0.916734  0.610837  1
  S  S117  1  0.250302  0.042002  0.610571  1
  S  S118  1  0.333419  0.166837  0.611093  1
  S  S119  1  0.416613  0.291905  0.610130  1
  S  S120  1  0.500000  0.416728  0.610083  1
  S  S121  1  0.583699  0.542164  0.610044  1
  S  S122  1  0.667449  0.667137  0.610393  1
  S  S123  1  0.751268  0.792301  0.611337  1
  S  S124  1  0.832291  0.917389  0.613419  1
  S  S125  1  0.416497  0.042084  0.610254  1
  S  S126  1  0.500000  0.166692  0.611137  1
  S  S127  1  0.583387  0.291904  0.610130  1
  S  S128  1  0.666842  0.416769  0.611565  1
  S  S129  1  0.750042  0.541794  0.610600  1
  S  S130  1  0.833481  0.666776  0.611800  1
  S  S131  1  0.921749  0.791531  0.604028  1
  S  S132  1  -0.000000  0.917994  0.610269  1
  S  S133  1  0.583503  0.042084  0.610255  1
  S  S134  1  0.666581  0.166837  0.611093  1
  S  S135  1  0.749943  0.291791  0.610759  1
  S  S136  1  0.833215  0.415970  0.610856  1
  S  S137  1  0.916545  0.541071  0.609254  1
  S  S138  1  -0.000000  0.660785  0.616931  1
  S  S139  1  0.749699  0.042002  0.610571  1
  S  S140  1  0.832855  0.166471  0.611355  1
  S  S141  1  0.916258  0.291233  0.610200  1
  S  S142  1  -0.000000  0.415240  0.611677  1
  S  S143  1  0.916162  0.042229  0.610339  1
  S  S144  1  0.000000  0.166300  0.610443  1
