# 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  0.749779  0.500000  1
  W  W2  1  0.087275  0.878815  0.499997  1
  W  W3  1  0.000000  0.497197  0.499997  1
  W  W4  1  0.084912  0.619820  0.499997  1
  W  W5  1  0.172137  0.751228  0.499995  1
  W  W6  1  0.252149  0.876368  0.499992  1
  W  W7  1  0.000000  0.249043  0.500001  1
  W  W8  1  0.083552  0.373333  0.499998  1
  W  W9  1  0.166997  0.497907  0.499996  1
  W  W10  1  0.250188  0.624800  0.499994  1
  W  W11  1  0.334943  0.750824  0.499992  1
  W  W12  1  0.417456  0.875922  0.499993  1
  W  W13  1  0.000000  0.000227  0.500001  1
  W  W14  1  0.083624  0.124825  0.500000  1
  W  W15  1  0.166964  0.249377  0.499998  1
  W  W16  1  0.250351  0.374132  0.499996  1
  W  W17  1  0.333440  0.499751  0.499995  1
  W  W18  1  0.416815  0.625192  0.499994  1
  W  W19  1  0.500000  0.750537  0.499997  1
  W  W20  1  0.582544  0.875921  0.499999  1
  W  W21  1  0.168376  0.001151  0.499994  1
  W  W22  1  0.250753  0.125526  0.499995  1
  W  W23  1  0.333675  0.250086  0.499995  1
  W  W24  1  0.416748  0.375084  0.499995  1
  W  W25  1  0.500000  0.500113  0.499997  1
  W  W26  1  0.583185  0.625192  0.499998  1
  W  W27  1  0.665057  0.750824  0.500001  1
  W  W28  1  0.747851  0.876369  0.500002  1
  W  W29  1  0.334330  0.001076  0.499993  1
  W  W30  1  0.416995  0.125677  0.499993  1
  W  W31  1  0.500000  0.250409  0.499995  1
  W  W32  1  0.583252  0.375083  0.499997  1
  W  W33  1  0.666561  0.499751  0.499999  1
  W  W34  1  0.749812  0.624799  0.500000  1
  W  W35  1  0.827864  0.751228  0.500001  1
  W  W36  1  0.912725  0.878815  0.500001  1
  W  W37  1  0.500000  0.000923  0.499995  1
  W  W38  1  0.583005  0.125677  0.499997  1
  W  W39  1  0.666325  0.250086  0.499999  1
  W  W40  1  0.749649  0.374132  0.499999  1
  W  W41  1  0.833004  0.497906  0.500000  1
  W  W42  1  0.915088  0.619820  0.499999  1
  W  W43  1  0.665670  0.001076  0.500001  1
  W  W44  1  0.749247  0.125526  0.500002  1
  W  W45  1  0.833036  0.249377  0.500001  1
  W  W46  1  0.916448  0.373333  0.500000  1
  W  W47  1  0.831624  0.001151  0.500004  1
  W  W48  1  0.916376  0.124825  0.500003  1
  S  S49  1  0.091626  0.795994  0.387176  1
  S  S50  1  0.169585  0.918925  0.388382  1
  S  S51  1  0.083979  0.537941  0.388487  1
  S  S52  1  0.166406  0.666674  0.390715  1
  S  S53  1  0.253366  0.792969  0.388466  1
  S  S54  1  0.334757  0.917881  0.389014  1
  S  S55  1  0.083444  0.290434  0.389107  1
  S  S56  1  0.166981  0.415039  0.389100  1
  S  S57  1  0.250080  0.541215  0.389426  1
  S  S58  1  0.333559  0.666826  0.389415  1
  S  S59  1  0.417523  0.792456  0.389012  1
  S  S60  1  0.499999  0.917708  0.388942  1
  S  S61  1  0.083670  0.041741  0.389322  1
  S  S62  1  0.166972  0.166374  0.389165  1
  S  S63  1  0.250232  0.291128  0.389118  1
  S  S64  1  0.333391  0.416495  0.389268  1
  S  S65  1  0.416665  0.541773  0.389389  1
  S  S66  1  0.500000  0.666952  0.389326  1
  S  S67  1  0.582476  0.792456  0.389009  1
  S  S68  1  0.665242  0.917881  0.389010  1
  S  S69  1  0.251138  0.042650  0.388978  1
  S  S70  1  0.333815  0.167109  0.389044  1
  S  S71  1  0.416774  0.291948  0.389157  1
  S  S72  1  0.500000  0.416846  0.389273  1
  S  S73  1  0.583335  0.541773  0.389387  1
  S  S74  1  0.666441  0.666826  0.389412  1
  S  S75  1  0.746634  0.792969  0.388462  1
  S  S76  1  0.830416  0.918925  0.388378  1
  S  S77  1  0.417134  0.042597  0.388974  1
  S  S78  1  0.500000  0.167324  0.389075  1
  S  S79  1  0.583226  0.291948  0.389156  1
  S  S80  1  0.666609  0.416495  0.389266  1
  S  S81  1  0.749921  0.541214  0.389422  1
  S  S82  1  0.833595  0.666674  0.390712  1
  S  S83  1  0.908374  0.795994  0.387175  1
  S  S84  1  0.000000  0.916608  0.390585  1
  S  S85  1  0.582865  0.042598  0.388972  1
  S  S86  1  0.666185  0.167109  0.389042  1
  S  S87  1  0.749768  0.291128  0.389116  1
  S  S88  1  0.833019  0.415039  0.389099  1
  S  S89  1  0.916022  0.537941  0.388486  1
  S  S90  1  0.000000  0.657827  0.387203  1
  S  S91  1  0.748862  0.042650  0.388973  1
  S  S92  1  0.833029  0.166374  0.389163  1
  S  S93  1  0.916556  0.290434  0.389106  1
  S  S94  1  0.000000  0.414412  0.389096  1
  S  S95  1  0.916330  0.041741  0.389320  1
  S  S96  1  0.000000  0.165997  0.389244  1
  S  S97  1  0.091625  0.795994  0.612826  1
  S  S98  1  0.169584  0.918925  0.611624  1
  S  S99  1  0.083978  0.537941  0.611517  1
  S  S100  1  0.166405  0.666674  0.609290  1
  S  S101  1  0.253366  0.792969  0.611541  1
  S  S102  1  0.334757  0.917881  0.610994  1
  S  S103  1  0.083444  0.290433  0.610894  1
  S  S104  1  0.166981  0.415039  0.610903  1
  S  S105  1  0.250079  0.541213  0.610580  1
  S  S106  1  0.333559  0.666826  0.610590  1
  S  S107  1  0.417523  0.792455  0.610995  1
  S  S108  1  0.500001  0.917708  0.611064  1
  S  S109  1  0.083669  0.041741  0.610679  1
  S  S110  1  0.166971  0.166374  0.610837  1
  S  S111  1  0.250232  0.291128  0.610886  1
  S  S112  1  0.333391  0.416494  0.610737  1
  S  S113  1  0.416665  0.541773  0.610616  1
  S  S114  1  0.500000  0.666951  0.610676  1
  S  S115  1  0.582477  0.792456  0.610992  1
  S  S116  1  0.665243  0.917881  0.610990  1
  S  S117  1  0.251138  0.042650  0.611029  1
  S  S118  1  0.333815  0.167109  0.610961  1
  S  S119  1  0.416774  0.291948  0.610848  1
  S  S120  1  0.500000  0.416846  0.610730  1
  S  S121  1  0.583335  0.541773  0.610615  1
  S  S122  1  0.666441  0.666826  0.610588  1
  S  S123  1  0.746634  0.792969  0.611537  1
  S  S124  1  0.830415  0.918925  0.611620  1
  S  S125  1  0.417135  0.042598  0.611033  1
  S  S126  1  0.500000  0.167324  0.610930  1
  S  S127  1  0.583226  0.291948  0.610847  1
  S  S128  1  0.666609  0.416495  0.610735  1
  S  S129  1  0.749921  0.541214  0.610578  1
  S  S130  1  0.833595  0.666674  0.609288  1
  S  S131  1  0.908374  0.795994  0.612825  1
  S  S132  1  -0.000000  0.916608  0.609415  1
  S  S133  1  0.582866  0.042598  0.611030  1
  S  S134  1  0.666185  0.167109  0.610959  1
  S  S135  1  0.749768  0.291128  0.610884  1
  S  S136  1  0.833019  0.415039  0.610902  1
  S  S137  1  0.916021  0.537941  0.611516  1
  S  S138  1  -0.000000  0.657827  0.612798  1
  S  S139  1  0.748862  0.042650  0.611024  1
  S  S140  1  0.833029  0.166374  0.610835  1
  S  S141  1  0.916556  0.290433  0.610893  1
  S  S142  1  -0.000000  0.414412  0.610906  1
  S  S143  1  0.916330  0.041741  0.610677  1
  S  S144  1  -0.000000  0.165997  0.610755  1
