# generated using pymatgen
data_BiW47S96
_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   BiW47S96
_chemical_formula_sum   'Bi1 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
  Bi  Bi1  1  0.000000  0.749872  0.500000  1
  W  W2  1  0.087760  0.879312  0.500000  1
  W  W3  1  0.000000  0.496201  0.500000  1
  W  W4  1  0.085408  0.619285  0.500000  1
  W  W5  1  0.173015  0.751213  0.499999  1
  W  W6  1  0.253279  0.876851  0.499999  1
  W  W7  1  -0.000000  0.248873  0.500000  1
  W  W8  1  0.083094  0.373600  0.500000  1
  W  W9  1  0.166923  0.497556  0.500000  1
  W  W10  1  0.249481  0.625174  0.499999  1
  W  W11  1  0.335311  0.751043  0.499999  1
  W  W12  1  0.417198  0.876089  0.499998  1
  W  W13  1  0.000000  -0.000585  0.500000  1
  W  W14  1  0.084569  0.124768  0.500000  1
  W  W15  1  0.167396  0.248696  0.500000  1
  W  W16  1  0.251150  0.374308  0.500000  1
  W  W17  1  0.333124  0.499356  0.500000  1
  W  W18  1  0.417068  0.625448  0.500000  1
  W  W19  1  0.500000  0.750192  0.499999  1
  W  W20  1  0.582803  0.876089  0.499999  1
  W  W21  1  0.168787  0.001258  0.499999  1
  W  W22  1  0.250227  0.125900  0.499999  1
  W  W23  1  0.333744  0.250069  0.500000  1
  W  W24  1  0.415345  0.375169  0.499999  1
  W  W25  1  0.500000  0.500078  0.500000  1
  W  W26  1  0.582931  0.625449  0.500000  1
  W  W27  1  0.664689  0.751042  0.500000  1
  W  W28  1  0.746721  0.876851  0.500001  1
  W  W29  1  0.334265  0.000617  0.499998  1
  W  W30  1  0.417762  0.126686  0.499999  1
  W  W31  1  0.500000  0.249577  0.500000  1
  W  W32  1  0.584654  0.375169  0.500000  1
  W  W33  1  0.666876  0.499356  0.500000  1
  W  W34  1  0.750519  0.625174  0.500000  1
  W  W35  1  0.826985  0.751213  0.500000  1
  W  W36  1  0.912240  0.879312  0.500000  1
  W  W37  1  0.500000  0.001143  0.499998  1
  W  W38  1  0.582238  0.126686  0.499999  1
  W  W39  1  0.666256  0.250069  0.500001  1
  W  W40  1  0.748850  0.374308  0.500000  1
  W  W41  1  0.833077  0.497556  0.500000  1
  W  W42  1  0.914592  0.619285  0.500000  1
  W  W43  1  0.665735  0.000617  0.500000  1
  W  W44  1  0.749773  0.125900  0.500000  1
  W  W45  1  0.832604  0.248696  0.500000  1
  W  W46  1  0.916906  0.373600  0.500000  1
  W  W47  1  0.831213  0.001258  0.500001  1
  W  W48  1  0.915431  0.124768  0.500000  1
  S  S49  1  0.096518  0.798358  0.382187  1
  S  S50  1  0.170337  0.919143  0.388522  1
  S  S51  1  0.083886  0.537363  0.388636  1
  S  S52  1  0.166074  0.666864  0.390669  1
  S  S53  1  0.254004  0.793370  0.388582  1
  S  S54  1  0.335230  0.918015  0.388331  1
  S  S55  1  0.083665  0.290322  0.389592  1
  S  S56  1  0.167125  0.414683  0.389276  1
  S  S57  1  0.249879  0.541347  0.389659  1
  S  S58  1  0.333419  0.666843  0.389631  1
  S  S59  1  0.417781  0.792534  0.389079  1
  S  S60  1  0.500000  0.917883  0.389177  1
  S  S61  1  0.083644  0.041476  0.389566  1
  S  S62  1  0.167091  0.166335  0.388509  1
  S  S63  1  0.250344  0.291091  0.389161  1
  S  S64  1  0.333183  0.416714  0.388514  1
  S  S65  1  0.416519  0.541742  0.389744  1
  S  S66  1  0.500000  0.666898  0.389057  1
  S  S67  1  0.582219  0.792534  0.389079  1
  S  S68  1  0.664770  0.918015  0.388330  1
  S  S69  1  0.251478  0.042839  0.389125  1
  S  S70  1  0.333769  0.167165  0.389032  1
  S  S71  1  0.416929  0.291911  0.389305  1
  S  S72  1  0.500000  0.416362  0.390103  1
  S  S73  1  0.583480  0.541741  0.389744  1
  S  S74  1  0.666581  0.666843  0.389630  1
  S  S75  1  0.745996  0.793369  0.388581  1
  S  S76  1  0.829663  0.919143  0.388521  1
  S  S77  1  0.417009  0.043047  0.389533  1
  S  S78  1  0.500000  0.167538  0.387943  1
  S  S79  1  0.583071  0.291911  0.389304  1
  S  S80  1  0.666817  0.416714  0.388515  1
  S  S81  1  0.750121  0.541347  0.389659  1
  S  S82  1  0.833926  0.666864  0.390668  1
  S  S83  1  0.903482  0.798358  0.382187  1
  S  S84  1  0.000000  0.916120  0.390600  1
  S  S85  1  0.582991  0.043047  0.389533  1
  S  S86  1  0.666230  0.167165  0.389031  1
  S  S87  1  0.749656  0.291091  0.389161  1
  S  S88  1  0.832875  0.414683  0.389276  1
  S  S89  1  0.916114  0.537363  0.388636  1
  S  S90  1  0.000000  0.653162  0.382352  1
  S  S91  1  0.748522  0.042839  0.389124  1
  S  S92  1  0.832909  0.166335  0.388508  1
  S  S93  1  0.916335  0.290322  0.389591  1
  S  S94  1  -0.000000  0.414090  0.388373  1
  S  S95  1  0.916356  0.041476  0.389565  1
  S  S96  1  -0.000000  0.165572  0.389809  1
  S  S97  1  0.096518  0.798358  0.617813  1
  S  S98  1  0.170337  0.919143  0.611479  1
  S  S99  1  0.083886  0.537363  0.611364  1
  S  S100  1  0.166074  0.666864  0.609332  1
  S  S101  1  0.254004  0.793370  0.611419  1
  S  S102  1  0.335230  0.918015  0.611671  1
  S  S103  1  0.083665  0.290322  0.610409  1
  S  S104  1  0.167125  0.414683  0.610724  1
  S  S105  1  0.249879  0.541347  0.610342  1
  S  S106  1  0.333419  0.666843  0.610370  1
  S  S107  1  0.417781  0.792534  0.610922  1
  S  S108  1  0.500000  0.917883  0.610825  1
  S  S109  1  0.083644  0.041476  0.610435  1
  S  S110  1  0.167091  0.166335  0.611492  1
  S  S111  1  0.250344  0.291091  0.610839  1
  S  S112  1  0.333183  0.416713  0.611486  1
  S  S113  1  0.416519  0.541742  0.610257  1
  S  S114  1  0.500000  0.666898  0.610944  1
  S  S115  1  0.582219  0.792534  0.610922  1
  S  S116  1  0.664770  0.918015  0.611670  1
  S  S117  1  0.251478  0.042839  0.610876  1
  S  S118  1  0.333770  0.167165  0.610969  1
  S  S119  1  0.416929  0.291911  0.610695  1
  S  S120  1  0.500000  0.416361  0.609897  1
  S  S121  1  0.583481  0.541742  0.610257  1
  S  S122  1  0.666581  0.666843  0.610370  1
  S  S123  1  0.745996  0.793369  0.611418  1
  S  S124  1  0.829663  0.919143  0.611478  1
  S  S125  1  0.417009  0.043047  0.610469  1
  S  S126  1  0.500000  0.167538  0.612057  1
  S  S127  1  0.583071  0.291911  0.610695  1
  S  S128  1  0.666817  0.416714  0.611486  1
  S  S129  1  0.750121  0.541347  0.610341  1
  S  S130  1  0.833926  0.666864  0.609331  1
  S  S131  1  0.903482  0.798358  0.617813  1
  S  S132  1  -0.000000  0.916120  0.609400  1
  S  S133  1  0.582991  0.043047  0.610468  1
  S  S134  1  0.666231  0.167165  0.610969  1
  S  S135  1  0.749656  0.291091  0.610839  1
  S  S136  1  0.832875  0.414683  0.610724  1
  S  S137  1  0.916114  0.537363  0.611363  1
  S  S138  1  -0.000000  0.653162  0.617648  1
  S  S139  1  0.748522  0.042839  0.610875  1
  S  S140  1  0.832909  0.166335  0.611491  1
  S  S141  1  0.916335  0.290322  0.610409  1
  S  S142  1  0.000000  0.414091  0.611628  1
  S  S143  1  0.916356  0.041476  0.610434  1
  S  S144  1  0.000000  0.165572  0.610191  1
