# 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  0.749684  0.499999  1
  W  W2  1  0.087519  0.879174  0.500002  1
  W  W3  1  0.000000  0.495804  0.500000  1
  W  W4  1  0.085572  0.618913  0.500001  1
  W  W5  1  0.173260  0.750934  0.500002  1
  W  W6  1  0.253646  0.877088  0.500004  1
  W  W7  1  -0.000000  0.248817  0.500002  1
  W  W8  1  0.083201  0.373418  0.500001  1
  W  W9  1  0.167013  0.497370  0.500001  1
  W  W10  1  0.249410  0.625090  0.500002  1
  W  W11  1  0.335329  0.751293  0.500004  1
  W  W12  1  0.417274  0.876545  0.500004  1
  W  W13  1  -0.000000  -0.000557  0.500001  1
  W  W14  1  0.084722  0.124859  0.500001  1
  W  W15  1  0.168045  0.248814  0.500001  1
  W  W16  1  0.251312  0.373826  0.500002  1
  W  W17  1  0.332925  0.498848  0.500002  1
  W  W18  1  0.417054  0.625856  0.500002  1
  W  W19  1  0.500000  0.750344  0.500001  1
  W  W20  1  0.582725  0.876545  0.500001  1
  W  W21  1  0.168638  0.001276  0.500003  1
  W  W22  1  0.249880  0.125115  0.500003  1
  W  W23  1  0.334162  0.249942  0.500002  1
  W  W24  1  0.415735  0.376579  0.500000  1
  W  W25  1  0.499999  0.500510  0.499999  1
  W  W26  1  0.582946  0.625856  0.499999  1
  W  W27  1  0.664671  0.751292  0.499999  1
  W  W28  1  0.746353  0.877088  0.499997  1
  W  W29  1  0.333060  0.000375  0.500002  1
  W  W30  1  0.423401  0.130519  0.500001  1
  W  W31  1  0.500000  0.241964  0.500000  1
  W  W32  1  0.584265  0.376579  0.499999  1
  W  W33  1  0.667075  0.498848  0.499999  1
  W  W34  1  0.750590  0.625090  0.499998  1
  W  W35  1  0.826740  0.750934  0.499998  1
  W  W36  1  0.912481  0.879174  0.499999  1
  W  W37  1  0.500000  0.001840  0.500002  1
  W  W38  1  0.576599  0.130519  0.499999  1
  W  W39  1  0.665839  0.249943  0.499999  1
  W  W40  1  0.748689  0.373827  0.499997  1
  W  W41  1  0.832988  0.497370  0.499998  1
  W  W42  1  0.914428  0.618914  0.499999  1
  W  W43  1  0.666940  0.000375  0.500000  1
  W  W44  1  0.750121  0.125115  0.499997  1
  W  W45  1  0.831955  0.248814  0.499998  1
  W  W46  1  0.916799  0.373418  0.499998  1
  W  W47  1  0.831361  0.001276  0.499998  1
  W  W48  1  0.915278  0.124859  0.499999  1
  S  S49  1  0.096589  0.798056  0.382234  1
  S  S50  1  0.170151  0.919049  0.388618  1
  S  S51  1  0.083944  0.537008  0.388557  1
  S  S52  1  0.166087  0.666647  0.390530  1
  S  S53  1  0.254102  0.793553  0.388581  1
  S  S54  1  0.335438  0.918230  0.387669  1
  S  S55  1  0.083902  0.290166  0.389633  1
  S  S56  1  0.167269  0.414431  0.389212  1
  S  S57  1  0.249953  0.541144  0.389658  1
  S  S58  1  0.333310  0.667027  0.389661  1
  S  S59  1  0.417817  0.792907  0.389035  1
  S  S60  1  0.500000  0.918651  0.389228  1
  S  S61  1  0.083631  0.041504  0.389432  1
  S  S62  1  0.167447  0.166372  0.388331  1
  S  S63  1  0.251163  0.290728  0.388818  1
  S  S64  1  0.333062  0.416330  0.387845  1
  S  S65  1  0.416333  0.542050  0.389774  1
  S  S66  1  0.500000  0.667113  0.388936  1
  S  S67  1  0.582184  0.792907  0.389036  1
  S  S68  1  0.664562  0.918231  0.387672  1
  S  S69  1  0.251033  0.042726  0.388828  1
  S  S70  1  0.334528  0.166823  0.389243  1
  S  S71  1  0.418525  0.291728  0.390283  1
  S  S72  1  0.500000  0.417101  0.390019  1
  S  S73  1  0.583667  0.542050  0.389775  1
  S  S74  1  0.666689  0.667026  0.389662  1
  S  S75  1  0.745898  0.793553  0.388582  1
  S  S76  1  0.829849  0.919048  0.388620  1
  S  S77  1  0.416774  0.044568  0.390645  1
  S  S78  1  0.500000  0.166856  0.375613  1
  S  S79  1  0.581475  0.291728  0.390283  1
  S  S80  1  0.666938  0.416330  0.387847  1
  S  S81  1  0.750048  0.541144  0.389660  1
  S  S82  1  0.833914  0.666647  0.390531  1
  S  S83  1  0.903411  0.798056  0.382234  1
  S  S84  1  0.000000  0.916157  0.390454  1
  S  S85  1  0.583226  0.044568  0.390646  1
  S  S86  1  0.665473  0.166824  0.389244  1
  S  S87  1  0.748837  0.290728  0.388820  1
  S  S88  1  0.832731  0.414431  0.389214  1
  S  S89  1  0.916057  0.537008  0.388558  1
  S  S90  1  0.000000  0.652733  0.382379  1
  S  S91  1  0.748966  0.042726  0.388828  1
  S  S92  1  0.832553  0.166372  0.388333  1
  S  S93  1  0.916098  0.290166  0.389635  1
  S  S94  1  0.000000  0.413722  0.388334  1
  S  S95  1  0.916368  0.041504  0.389433  1
  S  S96  1  0.000000  0.165549  0.389844  1
  S  S97  1  0.096588  0.798056  0.617764  1
  S  S98  1  0.170151  0.919048  0.611377  1
  S  S99  1  0.083944  0.537008  0.611445  1
  S  S100  1  0.166087  0.666647  0.609470  1
  S  S101  1  0.254102  0.793554  0.611418  1
  S  S102  1  0.335438  0.918230  0.612325  1
  S  S103  1  0.083902  0.290165  0.610367  1
  S  S104  1  0.167270  0.414430  0.610789  1
  S  S105  1  0.249953  0.541145  0.610342  1
  S  S106  1  0.333310  0.667027  0.610339  1
  S  S107  1  0.417816  0.792907  0.610963  1
  S  S108  1  0.500000  0.918651  0.610771  1
  S  S109  1  0.083631  0.041503  0.610563  1
  S  S110  1  0.167447  0.166371  0.611665  1
  S  S111  1  0.251163  0.290727  0.611181  1
  S  S112  1  0.333062  0.416330  0.612155  1
  S  S113  1  0.416332  0.542051  0.610227  1
  S  S114  1  0.499999  0.667114  0.611064  1
  S  S115  1  0.582183  0.792907  0.610963  1
  S  S116  1  0.664562  0.918230  0.612328  1
  S  S117  1  0.251032  0.042726  0.611168  1
  S  S118  1  0.334527  0.166823  0.610756  1
  S  S119  1  0.418525  0.291728  0.609717  1
  S  S120  1  0.500000  0.417101  0.609982  1
  S  S121  1  0.583667  0.542051  0.610228  1
  S  S122  1  0.666690  0.667027  0.610339  1
  S  S123  1  0.745898  0.793554  0.611418  1
  S  S124  1  0.829848  0.919049  0.611378  1
  S  S125  1  0.416775  0.044567  0.609353  1
  S  S126  1  0.500000  0.166856  0.624387  1
  S  S127  1  0.581475  0.291728  0.609718  1
  S  S128  1  0.666938  0.416330  0.612157  1
  S  S129  1  0.750047  0.541144  0.610344  1
  S  S130  1  0.833914  0.666648  0.609470  1
  S  S131  1  0.903412  0.798056  0.617763  1
  S  S132  1  -0.000000  0.916157  0.609543  1
  S  S133  1  0.583226  0.044567  0.609353  1
  S  S134  1  0.665473  0.166823  0.610756  1
  S  S135  1  0.748837  0.290728  0.611183  1
  S  S136  1  0.832731  0.414431  0.610790  1
  S  S137  1  0.916057  0.537008  0.611447  1
  S  S138  1  0.000000  0.652734  0.617621  1
  S  S139  1  0.748967  0.042726  0.611171  1
  S  S140  1  0.832553  0.166371  0.611667  1
  S  S141  1  0.916098  0.290165  0.610368  1
  S  S142  1  0.000000  0.413722  0.611668  1
  S  S143  1  0.916369  0.041503  0.610564  1
  S  S144  1  0.000000  0.165548  0.610155  1
