# generated using pymatgen
data_SbW47S96
_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   SbW47S96
_chemical_formula_sum   'Sb1 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
  Sb  Sb1  1  -0.000001  0.754322  0.499998  1
  W  W2  1  0.086542  0.879319  0.499999  1
  W  W3  1  0.000000  0.496855  0.499998  1
  W  W4  1  0.084693  0.618068  0.499999  1
  W  W5  1  0.174307  0.752287  0.499999  1
  W  W6  1  0.252612  0.876434  0.499999  1
  W  W7  1  0.000000  0.249316  0.499998  1
  W  W8  1  0.083791  0.373246  0.499998  1
  W  W9  1  0.167418  0.497474  0.499998  1
  W  W10  1  0.250427  0.624719  0.499999  1
  W  W11  1  0.335864  0.750522  0.499998  1
  W  W12  1  0.417667  0.875904  0.499997  1
  W  W13  1  -0.000000  0.000705  0.500000  1
  W  W14  1  0.083556  0.125228  0.499997  1
  W  W15  1  0.167054  0.249530  0.499997  1
  W  W16  1  0.250652  0.374072  0.499997  1
  W  W17  1  0.333644  0.499505  0.499998  1
  W  W18  1  0.416935  0.624859  0.499998  1
  W  W19  1  0.500000  0.750237  0.499997  1
  W  W20  1  0.582332  0.875904  0.499999  1
  W  W21  1  0.168471  0.001591  0.499999  1
  W  W22  1  0.250683  0.125664  0.499998  1
  W  W23  1  0.333771  0.250079  0.499997  1
  W  W24  1  0.416847  0.374961  0.499998  1
  W  W25  1  0.500001  0.499880  0.499998  1
  W  W26  1  0.583066  0.624859  0.499998  1
  W  W27  1  0.664136  0.750523  0.499999  1
  W  W28  1  0.747387  0.876433  0.500000  1
  W  W29  1  0.334282  0.001287  0.499998  1
  W  W30  1  0.417022  0.125744  0.499997  1
  W  W31  1  0.500000  0.250408  0.499998  1
  W  W32  1  0.583153  0.374961  0.499999  1
  W  W33  1  0.666357  0.499505  0.499999  1
  W  W34  1  0.749573  0.624719  0.499999  1
  W  W35  1  0.825694  0.752285  0.500000  1
  W  W36  1  0.913457  0.879319  0.500001  1
  W  W37  1  0.499999  0.000958  0.499999  1
  W  W38  1  0.582978  0.125744  0.500000  1
  W  W39  1  0.666229  0.250079  0.500000  1
  W  W40  1  0.749349  0.374071  0.500000  1
  W  W41  1  0.832584  0.497474  0.499999  1
  W  W42  1  0.915306  0.618070  0.499999  1
  W  W43  1  0.665717  0.001286  0.500000  1
  W  W44  1  0.749316  0.125664  0.500000  1
  W  W45  1  0.832947  0.249530  0.500000  1
  W  W46  1  0.916209  0.373246  0.499999  1
  W  W47  1  0.831529  0.001591  0.500000  1
  W  W48  1  0.916445  0.125228  0.500000  1
  S  S49  1  0.093633  0.795362  0.388973  1
  S  S50  1  0.169699  0.919237  0.388615  1
  S  S51  1  0.084208  0.536693  0.387965  1
  S  S52  1  0.166285  0.666398  0.391269  1
  S  S53  1  0.255403  0.793415  0.387972  1
  S  S54  1  0.335011  0.918118  0.388998  1
  S  S55  1  0.083549  0.290490  0.388988  1
  S  S56  1  0.167339  0.414684  0.388958  1
  S  S57  1  0.250367  0.541037  0.389488  1
  S  S58  1  0.333917  0.666572  0.389326  1
  S  S59  1  0.418036  0.792414  0.388870  1
  S  S60  1  0.499999  0.917809  0.388810  1
  S  S61  1  0.083768  0.042199  0.389348  1
  S  S62  1  0.166971  0.166611  0.389076  1
  S  S63  1  0.250429  0.291107  0.389045  1
  S  S64  1  0.333640  0.416328  0.389103  1
  S  S65  1  0.416769  0.541483  0.389265  1
  S  S66  1  0.500000  0.666629  0.389182  1
  S  S67  1  0.581963  0.792415  0.388869  1
  S  S68  1  0.664988  0.918117  0.388997  1
  S  S69  1  0.251203  0.042939  0.388806  1
  S  S70  1  0.333830  0.167149  0.388990  1
  S  S71  1  0.416837  0.291875  0.389048  1
  S  S72  1  0.500000  0.416685  0.389146  1
  S  S73  1  0.583232  0.541483  0.389265  1
  S  S74  1  0.666083  0.666571  0.389326  1
  S  S75  1  0.744599  0.793415  0.387971  1
  S  S76  1  0.830300  0.919237  0.388616  1
  S  S77  1  0.417154  0.042712  0.388938  1
  S  S78  1  0.500000  0.167376  0.388985  1
  S  S79  1  0.583163  0.291875  0.389047  1
  S  S80  1  0.666361  0.416328  0.389102  1
  S  S81  1  0.749633  0.541036  0.389487  1
  S  S82  1  0.833714  0.666397  0.391267  1
  S  S83  1  0.906366  0.795363  0.388972  1
  S  S84  1  -0.000000  0.917590  0.389802  1
  S  S85  1  0.582845  0.042712  0.388938  1
  S  S86  1  0.666169  0.167149  0.388989  1
  S  S87  1  0.749571  0.291107  0.389043  1
  S  S88  1  0.832663  0.414684  0.388956  1
  S  S89  1  0.915793  0.536695  0.387964  1
  S  S90  1  0.000001  0.657982  0.390662  1
  S  S91  1  0.748796  0.042938  0.388804  1
  S  S92  1  0.833030  0.166610  0.389074  1
  S  S93  1  0.916451  0.290490  0.388986  1
  S  S94  1  0.000000  0.414083  0.389124  1
  S  S95  1  0.916232  0.042199  0.389349  1
  S  S96  1  -0.000000  0.166384  0.389099  1
  S  S97  1  0.093632  0.795362  0.611024  1
  S  S98  1  0.169699  0.919237  0.611383  1
  S  S99  1  0.084207  0.536694  0.612038  1
  S  S100  1  0.166284  0.666399  0.608733  1
  S  S101  1  0.255402  0.793415  0.612030  1
  S  S102  1  0.335011  0.918118  0.611004  1
  S  S103  1  0.083549  0.290490  0.611016  1
  S  S104  1  0.167338  0.414684  0.611047  1
  S  S105  1  0.250368  0.541037  0.610516  1
  S  S106  1  0.333917  0.666571  0.610678  1
  S  S107  1  0.418037  0.792415  0.611133  1
  S  S108  1  0.499999  0.917809  0.611191  1
  S  S109  1  0.083768  0.042199  0.610652  1
  S  S110  1  0.166970  0.166610  0.610926  1
  S  S111  1  0.250430  0.291107  0.610959  1
  S  S112  1  0.333639  0.416328  0.610901  1
  S  S113  1  0.416770  0.541483  0.610738  1
  S  S114  1  0.500000  0.666629  0.610821  1
  S  S115  1  0.581964  0.792415  0.611132  1
  S  S116  1  0.664989  0.918118  0.611003  1
  S  S117  1  0.251203  0.042938  0.611197  1
  S  S118  1  0.333831  0.167149  0.611012  1
  S  S119  1  0.416837  0.291875  0.610954  1
  S  S120  1  0.500000  0.416685  0.610855  1
  S  S121  1  0.583231  0.541483  0.610738  1
  S  S122  1  0.666083  0.666572  0.610676  1
  S  S123  1  0.744599  0.793415  0.612029  1
  S  S124  1  0.830300  0.919237  0.611385  1
  S  S125  1  0.417154  0.042712  0.611063  1
  S  S126  1  0.500000  0.167376  0.611014  1
  S  S127  1  0.583163  0.291875  0.610954  1
  S  S128  1  0.666361  0.416328  0.610899  1
  S  S129  1  0.749633  0.541036  0.610514  1
  S  S130  1  0.833714  0.666397  0.608733  1
  S  S131  1  0.906366  0.795363  0.611028  1
  S  S132  1  -0.000001  0.917590  0.610198  1
  S  S133  1  0.582845  0.042712  0.611062  1
  S  S134  1  0.666169  0.167149  0.611011  1
  S  S135  1  0.749572  0.291107  0.610957  1
  S  S136  1  0.832663  0.414684  0.611046  1
  S  S137  1  0.915793  0.536695  0.612037  1
  S  S138  1  0.000001  0.657982  0.609338  1
  S  S139  1  0.748796  0.042939  0.611194  1
  S  S140  1  0.833029  0.166611  0.610925  1
  S  S141  1  0.916451  0.290490  0.611014  1
  S  S142  1  -0.000000  0.414083  0.610878  1
  S  S143  1  0.916232  0.042199  0.610652  1
  S  S144  1  0.000000  0.166384  0.610903  1
