# 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  0.749865  0.500000  1
  W  W2  1  0.087659  0.879398  0.500000  1
  W  W3  1  0.000000  0.496090  0.499999  1
  W  W4  1  0.085538  0.619280  0.499998  1
  W  W5  1  0.173051  0.751080  0.499997  1
  W  W6  1  0.253372  0.876897  0.499998  1
  W  W7  1  0.000000  0.248893  0.500002  1
  W  W8  1  0.082615  0.373787  0.500001  1
  W  W9  1  0.167003  0.497521  0.499996  1
  W  W10  1  0.249407  0.625152  0.499993  1
  W  W11  1  0.335332  0.750990  0.499995  1
  W  W12  1  0.416961  0.876135  0.499999  1
  W  W13  1  0.000000  -0.000615  0.500002  1
  W  W14  1  0.084855  0.124962  0.500002  1
  W  W15  1  0.167383  0.248499  0.500002  1
  W  W16  1  0.251604  0.374372  0.500000  1
  W  W17  1  0.333094  0.499084  0.499997  1
  W  W18  1  0.417262  0.625522  0.499996  1
  W  W19  1  0.500000  0.749844  0.499999  1
  W  W20  1  0.583039  0.876135  0.500002  1
  W  W21  1  0.168764  0.001354  0.500000  1
  W  W22  1  0.249882  0.126240  0.500001  1
  W  W23  1  0.333787  0.250074  0.500002  1
  W  W24  1  0.414949  0.375417  0.500000  1
  W  W25  1  0.500000  0.500104  0.499999  1
  W  W26  1  0.582738  0.625522  0.500000  1
  W  W27  1  0.664668  0.750990  0.500002  1
  W  W28  1  0.746628  0.876897  0.500003  1
  W  W29  1  0.334296  0.000275  0.500000  1
  W  W30  1  0.418312  0.126879  0.500001  1
  W  W31  1  0.500000  0.249064  0.500002  1
  W  W32  1  0.585051  0.375417  0.500001  1
  W  W33  1  0.666906  0.499084  0.500001  1
  W  W34  1  0.750593  0.625151  0.500002  1
  W  W35  1  0.826949  0.751080  0.500001  1
  W  W36  1  0.912341  0.879398  0.500001  1
  W  W37  1  0.500000  0.001158  0.500001  1
  W  W38  1  0.581688  0.126879  0.500001  1
  W  W39  1  0.666213  0.250074  0.500002  1
  W  W40  1  0.748396  0.374372  0.500001  1
  W  W41  1  0.832997  0.497521  0.500002  1
  W  W42  1  0.914462  0.619280  0.500000  1
  W  W43  1  0.665704  0.000275  0.500003  1
  W  W44  1  0.750118  0.126240  0.500002  1
  W  W45  1  0.832617  0.248499  0.500002  1
  W  W46  1  0.917385  0.373787  0.500001  1
  W  W47  1  0.831236  0.001354  0.500003  1
  W  W48  1  0.915145  0.124962  0.500002  1
  S  S49  1  0.096511  0.798355  0.382189  1
  S  S50  1  0.170307  0.919222  0.388560  1
  S  S51  1  0.083959  0.537337  0.388654  1
  S  S52  1  0.166091  0.666823  0.390527  1
  S  S53  1  0.254009  0.793332  0.388597  1
  S  S54  1  0.335162  0.917923  0.388009  1
  S  S55  1  0.083683  0.290388  0.389598  1
  S  S56  1  0.167146  0.414525  0.389412  1
  S  S57  1  0.249932  0.541286  0.389641  1
  S  S58  1  0.333437  0.666777  0.389631  1
  S  S59  1  0.417846  0.792489  0.389105  1
  S  S60  1  0.500000  0.917831  0.389236  1
  S  S61  1  0.083627  0.041572  0.389571  1
  S  S62  1  0.167039  0.166452  0.388017  1
  S  S63  1  0.250362  0.291074  0.389116  1
  S  S64  1  0.333159  0.416755  0.387954  1
  S  S65  1  0.416492  0.541730  0.389726  1
  S  S66  1  0.500000  0.666785  0.388690  1
  S  S67  1  0.582153  0.792489  0.389103  1
  S  S68  1  0.664838  0.917923  0.388007  1
  S  S69  1  0.251585  0.042971  0.389288  1
  S  S70  1  0.333873  0.167140  0.389037  1
  S  S71  1  0.417032  0.291939  0.389349  1
  S  S72  1  0.500000  0.416295  0.390138  1
  S  S73  1  0.583507  0.541730  0.389724  1
  S  S74  1  0.666563  0.666777  0.389627  1
  S  S75  1  0.745991  0.793332  0.388594  1
  S  S76  1  0.829693  0.919222  0.388558  1
  S  S77  1  0.416965  0.043054  0.389544  1
  S  S78  1  0.500000  0.167535  0.387092  1
  S  S79  1  0.582968  0.291939  0.389349  1
  S  S80  1  0.666841  0.416756  0.387953  1
  S  S81  1  0.750068  0.541286  0.389637  1
  S  S82  1  0.833910  0.666823  0.390524  1
  S  S83  1  0.903489  0.798354  0.382188  1
  S  S84  1  0.000000  0.916170  0.390454  1
  S  S85  1  0.583035  0.043054  0.389543  1
  S  S86  1  0.666127  0.167140  0.389037  1
  S  S87  1  0.749639  0.291074  0.389116  1
  S  S88  1  0.832854  0.414524  0.389411  1
  S  S89  1  0.916041  0.537337  0.388652  1
  S  S90  1  -0.000000  0.653125  0.382359  1
  S  S91  1  0.748415  0.042971  0.389287  1
  S  S92  1  0.832961  0.166452  0.388016  1
  S  S93  1  0.916317  0.290388  0.389598  1
  S  S94  1  0.000000  0.414285  0.387855  1
  S  S95  1  0.916374  0.041572  0.389571  1
  S  S96  1  0.000000  0.165583  0.389799  1
  S  S97  1  0.096511  0.798355  0.617812  1
  S  S98  1  0.170307  0.919222  0.611441  1
  S  S99  1  0.083959  0.537337  0.611349  1
  S  S100  1  0.166089  0.666824  0.609477  1
  S  S101  1  0.254009  0.793333  0.611406  1
  S  S102  1  0.335162  0.917923  0.611992  1
  S  S103  1  0.083683  0.290388  0.610400  1
  S  S104  1  0.167146  0.414524  0.610589  1
  S  S105  1  0.249932  0.541286  0.610364  1
  S  S106  1  0.333437  0.666777  0.610375  1
  S  S107  1  0.417847  0.792489  0.610898  1
  S  S108  1  0.500000  0.917831  0.610763  1
  S  S109  1  0.083626  0.041572  0.610427  1
  S  S110  1  0.167039  0.166452  0.611982  1
  S  S111  1  0.250362  0.291074  0.610883  1
  S  S112  1  0.333159  0.416755  0.612047  1
  S  S113  1  0.416493  0.541730  0.610278  1
  S  S114  1  0.500000  0.666785  0.611312  1
  S  S115  1  0.582154  0.792489  0.610896  1
  S  S116  1  0.664839  0.917923  0.611990  1
  S  S117  1  0.251585  0.042971  0.610711  1
  S  S118  1  0.333873  0.167140  0.610961  1
  S  S119  1  0.417030  0.291939  0.610651  1
  S  S120  1  0.500000  0.416295  0.609861  1
  S  S121  1  0.583507  0.541730  0.610276  1
  S  S122  1  0.666563  0.666777  0.610372  1
  S  S123  1  0.745991  0.793332  0.611403  1
  S  S124  1  0.829693  0.919222  0.611440  1
  S  S125  1  0.416965  0.043054  0.610455  1
  S  S126  1  0.500000  0.167535  0.612906  1
  S  S127  1  0.582970  0.291939  0.610650  1
  S  S128  1  0.666841  0.416756  0.612046  1
  S  S129  1  0.750068  0.541286  0.610361  1
  S  S130  1  0.833910  0.666823  0.609475  1
  S  S131  1  0.903489  0.798355  0.617811  1
  S  S132  1  -0.000000  0.916170  0.609545  1
  S  S133  1  0.583035  0.043054  0.610455  1
  S  S134  1  0.666127  0.167140  0.610961  1
  S  S135  1  0.749638  0.291074  0.610882  1
  S  S136  1  0.832854  0.414524  0.610587  1
  S  S137  1  0.916040  0.537337  0.611348  1
  S  S138  1  -0.000000  0.653125  0.617641  1
  S  S139  1  0.748415  0.042971  0.610710  1
  S  S140  1  0.832961  0.166452  0.611981  1
  S  S141  1  0.916317  0.290388  0.610400  1
  S  S142  1  -0.000000  0.414284  0.612145  1
  S  S143  1  0.916373  0.041572  0.610427  1
  S  S144  1  -0.000000  0.165583  0.610199  1
