# generated using pymatgen
data_InW47S96
_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   InW47S96
_chemical_formula_sum   'In1 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
  In  In1  1  -0.000000  0.749723  0.500000  1
  W  W2  1  0.087526  0.879429  0.500000  1
  W  W3  1  0.000000  0.497393  0.499999  1
  W  W4  1  0.085615  0.619538  0.500000  1
  W  W5  1  0.172927  0.751013  0.500000  1
  W  W6  1  0.252117  0.876373  0.500000  1
  W  W7  1  -0.000000  0.248956  0.500000  1
  W  W8  1  0.083605  0.373214  0.500000  1
  W  W9  1  0.166544  0.497846  0.500000  1
  W  W10  1  0.250130  0.624940  0.500000  1
  W  W11  1  0.334849  0.751297  0.500000  1
  W  W12  1  0.417591  0.876015  0.500000  1
  W  W13  1  -0.000000  0.000057  0.500000  1
  W  W14  1  0.083661  0.124768  0.500000  1
  W  W15  1  0.167005  0.249282  0.500000  1
  W  W16  1  0.250382  0.374013  0.500000  1
  W  W17  1  0.333433  0.499701  0.500000  1
  W  W18  1  0.416839  0.625244  0.500000  1
  W  W19  1  0.500000  0.750629  0.500000  1
  W  W20  1  0.582409  0.876015  0.500000  1
  W  W21  1  0.168747  0.000866  0.500000  1
  W  W22  1  0.250854  0.125514  0.500000  1
  W  W23  1  0.333763  0.249985  0.500000  1
  W  W24  1  0.416783  0.374974  0.500000  1
  W  W25  1  0.500000  0.500087  0.500000  1
  W  W26  1  0.583161  0.625244  0.500000  1
  W  W27  1  0.665151  0.751297  0.500000  1
  W  W28  1  0.747883  0.876373  0.500000  1
  W  W29  1  0.334489  0.001199  0.500000  1
  W  W30  1  0.417075  0.125669  0.500000  1
  W  W31  1  0.500000  0.250311  0.500000  1
  W  W32  1  0.583217  0.374974  0.500000  1
  W  W33  1  0.666567  0.499701  0.500000  1
  W  W34  1  0.749870  0.624940  0.500000  1
  W  W35  1  0.827073  0.751013  0.500000  1
  W  W36  1  0.912474  0.879429  0.500000  1
  W  W37  1  0.500000  0.000984  0.500000  1
  W  W38  1  0.582925  0.125669  0.500000  1
  W  W39  1  0.666237  0.249985  0.500000  1
  W  W40  1  0.749618  0.374013  0.500000  1
  W  W41  1  0.833456  0.497846  0.500000  1
  W  W42  1  0.914385  0.619538  0.500000  1
  W  W43  1  0.665511  0.001199  0.500000  1
  W  W44  1  0.749146  0.125514  0.500000  1
  W  W45  1  0.832995  0.249282  0.500000  1
  W  W46  1  0.916395  0.373214  0.500000  1
  W  W47  1  0.831253  0.000866  0.500000  1
  W  W48  1  0.916339  0.124768  0.500000  1
  S  S49  1  0.091232  0.795774  0.387593  1
  S  S50  1  0.169758  0.918802  0.388001  1
  S  S51  1  0.083802  0.538069  0.388151  1
  S  S52  1  0.166624  0.666675  0.390826  1
  S  S53  1  0.253318  0.793188  0.388065  1
  S  S54  1  0.334844  0.917949  0.389116  1
  S  S55  1  0.083465  0.290342  0.389120  1
  S  S56  1  0.166963  0.415004  0.389171  1
  S  S57  1  0.249959  0.541180  0.389625  1
  S  S58  1  0.333626  0.667048  0.389559  1
  S  S59  1  0.417526  0.792568  0.389031  1
  S  S60  1  0.500000  0.917804  0.388863  1
  S  S61  1  0.083826  0.041624  0.389484  1
  S  S62  1  0.166994  0.166298  0.389198  1
  S  S63  1  0.250310  0.291004  0.389150  1
  S  S64  1  0.333424  0.416428  0.389339  1
  S  S65  1  0.416625  0.541784  0.389473  1
  S  S66  1  0.500000  0.666984  0.389381  1
  S  S67  1  0.582474  0.792568  0.389031  1
  S  S68  1  0.665156  0.917949  0.389116  1
  S  S69  1  0.251258  0.042628  0.389003  1
  S  S70  1  0.333897  0.167054  0.389034  1
  S  S71  1  0.416826  0.291853  0.389153  1
  S  S72  1  0.500000  0.416784  0.389307  1
  S  S73  1  0.583375  0.541784  0.389473  1
  S  S74  1  0.666374  0.667048  0.389559  1
  S  S75  1  0.746682  0.793188  0.388065  1
  S  S76  1  0.830242  0.918802  0.388001  1
  S  S77  1  0.417227  0.042650  0.388911  1
  S  S78  1  0.500000  0.167269  0.389006  1
  S  S79  1  0.583174  0.291853  0.389153  1
  S  S80  1  0.666576  0.416428  0.389339  1
  S  S81  1  0.750041  0.541180  0.389625  1
  S  S82  1  0.833376  0.666675  0.390826  1
  S  S83  1  0.908768  0.795774  0.387593  1
  S  S84  1  0.000000  0.916627  0.390791  1
  S  S85  1  0.582773  0.042650  0.388911  1
  S  S86  1  0.666103  0.167054  0.389034  1
  S  S87  1  0.749690  0.291004  0.389150  1
  S  S88  1  0.833037  0.415004  0.389171  1
  S  S89  1  0.916198  0.538069  0.388151  1
  S  S90  1  0.000000  0.658413  0.387527  1
  S  S91  1  0.748742  0.042628  0.389003  1
  S  S92  1  0.833006  0.166298  0.389198  1
  S  S93  1  0.916535  0.290342  0.389120  1
  S  S94  1  -0.000000  0.414441  0.389261  1
  S  S95  1  0.916174  0.041624  0.389484  1
  S  S96  1  -0.000000  0.165897  0.389302  1
  S  S97  1  0.091232  0.795774  0.612407  1
  S  S98  1  0.169758  0.918802  0.611999  1
  S  S99  1  0.083802  0.538069  0.611849  1
  S  S100  1  0.166624  0.666675  0.609174  1
  S  S101  1  0.253318  0.793188  0.611935  1
  S  S102  1  0.334844  0.917949  0.610884  1
  S  S103  1  0.083465  0.290342  0.610880  1
  S  S104  1  0.166963  0.415004  0.610828  1
  S  S105  1  0.249959  0.541180  0.610375  1
  S  S106  1  0.333626  0.667048  0.610441  1
  S  S107  1  0.417526  0.792568  0.610969  1
  S  S108  1  0.500000  0.917804  0.611137  1
  S  S109  1  0.083826  0.041624  0.610516  1
  S  S110  1  0.166994  0.166298  0.610802  1
  S  S111  1  0.250310  0.291004  0.610850  1
  S  S112  1  0.333424  0.416428  0.610661  1
  S  S113  1  0.416625  0.541784  0.610527  1
  S  S114  1  0.500000  0.666984  0.610619  1
  S  S115  1  0.582474  0.792568  0.610969  1
  S  S116  1  0.665156  0.917949  0.610884  1
  S  S117  1  0.251258  0.042628  0.610997  1
  S  S118  1  0.333897  0.167054  0.610966  1
  S  S119  1  0.416826  0.291853  0.610847  1
  S  S120  1  0.500000  0.416784  0.610693  1
  S  S121  1  0.583375  0.541784  0.610527  1
  S  S122  1  0.666374  0.667048  0.610441  1
  S  S123  1  0.746682  0.793188  0.611935  1
  S  S124  1  0.830242  0.918802  0.611999  1
  S  S125  1  0.417227  0.042650  0.611089  1
  S  S126  1  0.500000  0.167269  0.610994  1
  S  S127  1  0.583174  0.291853  0.610847  1
  S  S128  1  0.666576  0.416428  0.610661  1
  S  S129  1  0.750041  0.541180  0.610375  1
  S  S130  1  0.833376  0.666675  0.609173  1
  S  S131  1  0.908768  0.795774  0.612407  1
  S  S132  1  -0.000000  0.916627  0.609208  1
  S  S133  1  0.582773  0.042650  0.611089  1
  S  S134  1  0.666103  0.167054  0.610966  1
  S  S135  1  0.749690  0.291004  0.610850  1
  S  S136  1  0.833037  0.415004  0.610829  1
  S  S137  1  0.916198  0.538069  0.611849  1
  S  S138  1  0.000000  0.658413  0.612473  1
  S  S139  1  0.748742  0.042628  0.610997  1
  S  S140  1  0.833006  0.166298  0.610802  1
  S  S141  1  0.916535  0.290342  0.610880  1
  S  S142  1  0.000000  0.414441  0.610737  1
  S  S143  1  0.916174  0.041624  0.610516  1
  S  S144  1  -0.000000  0.165897  0.610697  1
