# 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  0.749861  0.500000  1
  W  W2  1  0.087957  0.879064  0.499998  1
  W  W3  1  0.000000  0.496405  0.499996  1
  W  W4  1  0.085037  0.619261  0.499998  1
  W  W5  1  0.172862  0.751518  0.499997  1
  W  W6  1  0.253063  0.876794  0.499995  1
  W  W7  1  0.000000  0.248808  0.499996  1
  W  W8  1  0.083518  0.373169  0.499996  1
  W  W9  1  0.166861  0.497526  0.499996  1
  W  W10  1  0.249693  0.625106  0.499997  1
  W  W11  1  0.335296  0.751082  0.499995  1
  W  W12  1  0.417587  0.876093  0.499995  1
  W  W13  1  0.000000  -0.000407  0.499998  1
  W  W14  1  0.083816  0.124651  0.499997  1
  W  W15  1  0.167094  0.249027  0.499996  1
  W  W16  1  0.250572  0.374114  0.499996  1
  W  W17  1  0.333363  0.499714  0.499997  1
  W  W18  1  0.416827  0.625277  0.499997  1
  W  W19  1  0.500000  0.750510  0.499997  1
  W  W20  1  0.582413  0.876093  0.499998  1
  W  W21  1  0.168851  0.001226  0.499996  1
  W  W22  1  0.250690  0.125602  0.499996  1
  W  W23  1  0.333737  0.250135  0.499997  1
  W  W24  1  0.416386  0.375169  0.499999  1
  W  W25  1  0.500000  0.500237  0.499998  1
  W  W26  1  0.583173  0.625276  0.499998  1
  W  W27  1  0.664704  0.751082  0.499999  1
  W  W28  1  0.746937  0.876794  0.500000  1
  W  W29  1  0.334471  0.001111  0.499995  1
  W  W30  1  0.417328  0.126015  0.499997  1
  W  W31  1  0.500000  0.250259  0.499999  1
  W  W32  1  0.583613  0.375170  0.499998  1
  W  W33  1  0.666637  0.499714  0.499998  1
  W  W34  1  0.750307  0.625106  0.499999  1
  W  W35  1  0.827137  0.751518  0.500000  1
  W  W36  1  0.912043  0.879064  0.500000  1
  W  W37  1  0.500000  0.001023  0.499996  1
  W  W38  1  0.582672  0.126015  0.499997  1
  W  W39  1  0.666263  0.250135  0.499997  1
  W  W40  1  0.749428  0.374114  0.499997  1
  W  W41  1  0.833139  0.497526  0.499997  1
  W  W42  1  0.914963  0.619261  0.499999  1
  W  W43  1  0.665529  0.001111  0.499998  1
  W  W44  1  0.749310  0.125602  0.499997  1
  W  W45  1  0.832906  0.249027  0.499996  1
  W  W46  1  0.916482  0.373169  0.499996  1
  W  W47  1  0.831149  0.001226  0.499999  1
  W  W48  1  0.916184  0.124651  0.499997  1
  S  S49  1  0.096418  0.798325  0.382015  1
  S  S50  1  0.170332  0.919123  0.388499  1
  S  S51  1  0.083856  0.537360  0.388616  1
  S  S52  1  0.166033  0.666907  0.391008  1
  S  S53  1  0.254007  0.793411  0.388571  1
  S  S54  1  0.335266  0.918147  0.388728  1
  S  S55  1  0.083507  0.290184  0.389322  1
  S  S56  1  0.167040  0.414758  0.389169  1
  S  S57  1  0.249870  0.541320  0.389708  1
  S  S58  1  0.333415  0.666921  0.389632  1
  S  S59  1  0.417724  0.792583  0.389044  1
  S  S60  1  0.500000  0.917908  0.388954  1
  S  S61  1  0.083685  0.041430  0.389560  1
  S  S62  1  0.167015  0.166191  0.389130  1
  S  S63  1  0.250294  0.291071  0.389260  1
  S  S64  1  0.333315  0.416576  0.389231  1
  S  S65  1  0.416595  0.541814  0.389542  1
  S  S66  1  0.500000  0.666969  0.389384  1
  S  S67  1  0.582276  0.792583  0.389043  1
  S  S68  1  0.664734  0.918147  0.388726  1
  S  S69  1  0.251418  0.042783  0.389009  1
  S  S70  1  0.333850  0.167159  0.389180  1
  S  S71  1  0.416861  0.292005  0.389297  1
  S  S72  1  0.500000  0.416847  0.389610  1
  S  S73  1  0.583405  0.541814  0.389541  1
  S  S74  1  0.666585  0.666921  0.389631  1
  S  S75  1  0.745993  0.793411  0.388568  1
  S  S76  1  0.829668  0.919123  0.388498  1
  S  S77  1  0.417226  0.042838  0.389163  1
  S  S78  1  0.500000  0.167515  0.388871  1
  S  S79  1  0.583139  0.292005  0.389297  1
  S  S80  1  0.666685  0.416576  0.389230  1
  S  S81  1  0.750130  0.541320  0.389707  1
  S  S82  1  0.833968  0.666907  0.391007  1
  S  S83  1  0.903582  0.798325  0.382014  1
  S  S84  1  0.000000  0.916058  0.390913  1
  S  S85  1  0.582774  0.042839  0.389162  1
  S  S86  1  0.666150  0.167159  0.389180  1
  S  S87  1  0.749706  0.291071  0.389260  1
  S  S88  1  0.832960  0.414758  0.389169  1
  S  S89  1  0.916144  0.537360  0.388616  1
  S  S90  1  -0.000000  0.653258  0.382149  1
  S  S91  1  0.748582  0.042783  0.389008  1
  S  S92  1  0.832985  0.166191  0.389130  1
  S  S93  1  0.916493  0.290184  0.389322  1
  S  S94  1  0.000000  0.413931  0.388900  1
  S  S95  1  0.916316  0.041430  0.389559  1
  S  S96  1  0.000000  0.165717  0.389457  1
  S  S97  1  0.096418  0.798325  0.617987  1
  S  S98  1  0.170332  0.919123  0.611505  1
  S  S99  1  0.083856  0.537360  0.611387  1
  S  S100  1  0.166032  0.666907  0.608995  1
  S  S101  1  0.254007  0.793411  0.611434  1
  S  S102  1  0.335266  0.918147  0.611277  1
  S  S103  1  0.083507  0.290184  0.610682  1
  S  S104  1  0.167039  0.414758  0.610835  1
  S  S105  1  0.249869  0.541319  0.610295  1
  S  S106  1  0.333415  0.666921  0.610372  1
  S  S107  1  0.417724  0.792583  0.610961  1
  S  S108  1  0.500000  0.917908  0.611050  1
  S  S109  1  0.083684  0.041430  0.610444  1
  S  S110  1  0.167014  0.166191  0.610874  1
  S  S111  1  0.250294  0.291071  0.610744  1
  S  S112  1  0.333315  0.416576  0.610772  1
  S  S113  1  0.416595  0.541814  0.610460  1
  S  S114  1  0.500000  0.666969  0.610619  1
  S  S115  1  0.582276  0.792583  0.610959  1
  S  S116  1  0.664734  0.918147  0.611275  1
  S  S117  1  0.251418  0.042783  0.610996  1
  S  S118  1  0.333850  0.167159  0.610823  1
  S  S119  1  0.416861  0.292005  0.610706  1
  S  S120  1  0.500000  0.416847  0.610393  1
  S  S121  1  0.583405  0.541814  0.610459  1
  S  S122  1  0.666585  0.666921  0.610370  1
  S  S123  1  0.745993  0.793411  0.611432  1
  S  S124  1  0.829668  0.919123  0.611503  1
  S  S125  1  0.417226  0.042839  0.610842  1
  S  S126  1  0.500000  0.167515  0.611131  1
  S  S127  1  0.583139  0.292005  0.610706  1
  S  S128  1  0.666685  0.416576  0.610772  1
  S  S129  1  0.750131  0.541319  0.610294  1
  S  S130  1  0.833968  0.666907  0.608994  1
  S  S131  1  0.903582  0.798325  0.617986  1
  S  S132  1  -0.000000  0.916058  0.609089  1
  S  S133  1  0.582774  0.042838  0.610841  1
  S  S134  1  0.666150  0.167159  0.610823  1
  S  S135  1  0.749706  0.291071  0.610744  1
  S  S136  1  0.832961  0.414758  0.610835  1
  S  S137  1  0.916144  0.537360  0.611386  1
  S  S138  1  0.000000  0.653258  0.617852  1
  S  S139  1  0.748582  0.042782  0.610995  1
  S  S140  1  0.832985  0.166191  0.610874  1
  S  S141  1  0.916493  0.290184  0.610682  1
  S  S142  1  -0.000000  0.413929  0.611103  1
  S  S143  1  0.916315  0.041430  0.610443  1
  S  S144  1  -0.000000  0.165717  0.610546  1
