# 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  0.750021  0.500000  1
  W  W2  1  0.087957  0.878788  0.500000  1
  W  W3  1  0.000000  0.497726  0.500000  1
  W  W4  1  0.084714  0.619573  0.500000  1
  W  W5  1  0.172575  0.751627  0.500000  1
  W  W6  1  0.252002  0.876190  0.500001  1
  W  W7  1  0.000000  0.249619  0.500000  1
  W  W8  1  0.083653  0.373842  0.499999  1
  W  W9  1  0.167439  0.498254  0.500000  1
  W  W10  1  0.250495  0.624619  0.500000  1
  W  W11  1  0.334983  0.750261  0.500000  1
  W  W12  1  0.417414  0.875522  0.500001  1
  W  W13  1  0.000000  0.000594  0.500000  1
  W  W14  1  0.083587  0.125223  0.500000  1
  W  W15  1  0.166964  0.249734  0.500000  1
  W  W16  1  0.250557  0.374274  0.499999  1
  W  W17  1  0.333586  0.499560  0.500000  1
  W  W18  1  0.416924  0.624819  0.500000  1
  W  W19  1  0.500000  0.749975  0.500000  1
  W  W20  1  0.582586  0.875522  0.500000  1
  W  W21  1  0.167939  0.001446  0.500000  1
  W  W22  1  0.250580  0.125683  0.500000  1
  W  W23  1  0.333727  0.250058  0.500000  1
  W  W24  1  0.416846  0.374884  0.499999  1
  W  W25  1  0.500000  0.499761  0.499999  1
  W  W26  1  0.583076  0.624819  0.500000  1
  W  W27  1  0.665017  0.750261  0.500000  1
  W  W28  1  0.747998  0.876189  0.500000  1
  W  W29  1  0.334190  0.000937  0.500001  1
  W  W30  1  0.416944  0.125496  0.500000  1
  W  W31  1  0.500000  0.250208  0.500000  1
  W  W32  1  0.583154  0.374884  0.499999  1
  W  W33  1  0.666414  0.499560  0.499999  1
  W  W34  1  0.749505  0.624619  0.500000  1
  W  W35  1  0.827425  0.751627  0.500000  1
  W  W36  1  0.912043  0.878788  0.500000  1
  W  W37  1  0.500000  0.000612  0.500000  1
  W  W38  1  0.583056  0.125496  0.500000  1
  W  W39  1  0.666273  0.250058  0.500000  1
  W  W40  1  0.749443  0.374274  0.499999  1
  W  W41  1  0.832561  0.498254  0.500000  1
  W  W42  1  0.915286  0.619573  0.500000  1
  W  W43  1  0.665810  0.000937  0.500000  1
  W  W44  1  0.749420  0.125683  0.500001  1
  W  W45  1  0.833036  0.249734  0.500000  1
  W  W46  1  0.916347  0.373842  0.499999  1
  W  W47  1  0.832061  0.001446  0.500000  1
  W  W48  1  0.916413  0.125223  0.500000  1
  S  S49  1  0.091795  0.795993  0.387015  1
  S  S50  1  0.169740  0.919206  0.388264  1
  S  S51  1  0.084210  0.537980  0.388325  1
  S  S52  1  0.166478  0.666681  0.390727  1
  S  S53  1  0.253759  0.792877  0.388283  1
  S  S54  1  0.334741  0.917710  0.389055  1
  S  S55  1  0.083508  0.290925  0.389079  1
  S  S56  1  0.167248  0.415272  0.389092  1
  S  S57  1  0.250434  0.541174  0.389232  1
  S  S58  1  0.333757  0.666460  0.389240  1
  S  S59  1  0.417602  0.792031  0.389028  1
  S  S60  1  0.500000  0.917344  0.388948  1
  S  S61  1  0.083507  0.042139  0.389186  1
  S  S62  1  0.166932  0.166736  0.389081  1
  S  S63  1  0.250375  0.291249  0.389077  1
  S  S64  1  0.333627  0.416332  0.389125  1
  S  S65  1  0.416793  0.541418  0.389265  1
  S  S66  1  0.500000  0.666495  0.389123  1
  S  S67  1  0.582398  0.792031  0.389028  1
  S  S68  1  0.665259  0.917710  0.389055  1
  S  S69  1  0.251030  0.042789  0.389036  1
  S  S70  1  0.333800  0.167062  0.389013  1
  S  S71  1  0.416849  0.291755  0.389070  1
  S  S72  1  0.500000  0.416557  0.389112  1
  S  S73  1  0.583207  0.541418  0.389265  1
  S  S74  1  0.666243  0.666460  0.389240  1
  S  S75  1  0.746241  0.792877  0.388283  1
  S  S76  1  0.830260  0.919206  0.388265  1
  S  S77  1  0.417113  0.042396  0.388972  1
  S  S78  1  0.500000  0.167109  0.389024  1
  S  S79  1  0.583151  0.291755  0.389070  1
  S  S80  1  0.666373  0.416332  0.389125  1
  S  S81  1  0.749566  0.541174  0.389232  1
  S  S82  1  0.833522  0.666681  0.390728  1
  S  S83  1  0.908205  0.795993  0.387015  1
  S  S84  1  -0.000000  0.916578  0.390705  1
  S  S85  1  0.582887  0.042396  0.388973  1
  S  S86  1  0.666200  0.167062  0.389013  1
  S  S87  1  0.749625  0.291249  0.389077  1
  S  S88  1  0.832752  0.415272  0.389092  1
  S  S89  1  0.915790  0.537980  0.388325  1
  S  S90  1  0.000000  0.658088  0.387066  1
  S  S91  1  0.748970  0.042789  0.389036  1
  S  S92  1  0.833068  0.166735  0.389082  1
  S  S93  1  0.916492  0.290925  0.389079  1
  S  S94  1  0.000000  0.414869  0.389121  1
  S  S95  1  0.916493  0.042139  0.389186  1
  S  S96  1  -0.000000  0.166560  0.389223  1
  S  S97  1  0.091796  0.795993  0.612985  1
  S  S98  1  0.169740  0.919206  0.611735  1
  S  S99  1  0.084210  0.537980  0.611675  1
  S  S100  1  0.166478  0.666681  0.609273  1
  S  S101  1  0.253759  0.792877  0.611717  1
  S  S102  1  0.334741  0.917710  0.610945  1
  S  S103  1  0.083508  0.290925  0.610921  1
  S  S104  1  0.167248  0.415272  0.610909  1
  S  S105  1  0.250434  0.541174  0.610768  1
  S  S106  1  0.333757  0.666460  0.610760  1
  S  S107  1  0.417602  0.792031  0.610972  1
  S  S108  1  0.500000  0.917344  0.611052  1
  S  S109  1  0.083507  0.042139  0.610814  1
  S  S110  1  0.166932  0.166735  0.610919  1
  S  S111  1  0.250375  0.291249  0.610923  1
  S  S112  1  0.333627  0.416332  0.610876  1
  S  S113  1  0.416793  0.541419  0.610735  1
  S  S114  1  0.500000  0.666495  0.610877  1
  S  S115  1  0.582398  0.792031  0.610972  1
  S  S116  1  0.665259  0.917710  0.610945  1
  S  S117  1  0.251030  0.042789  0.610964  1
  S  S118  1  0.333800  0.167062  0.610987  1
  S  S119  1  0.416849  0.291755  0.610931  1
  S  S120  1  0.500000  0.416557  0.610889  1
  S  S121  1  0.583207  0.541419  0.610735  1
  S  S122  1  0.666243  0.666460  0.610760  1
  S  S123  1  0.746241  0.792877  0.611717  1
  S  S124  1  0.830260  0.919206  0.611736  1
  S  S125  1  0.417113  0.042396  0.611027  1
  S  S126  1  0.500000  0.167108  0.610976  1
  S  S127  1  0.583151  0.291755  0.610931  1
  S  S128  1  0.666373  0.416332  0.610876  1
  S  S129  1  0.749566  0.541174  0.610768  1
  S  S130  1  0.833522  0.666681  0.609273  1
  S  S131  1  0.908205  0.795993  0.612985  1
  S  S132  1  0.000000  0.916578  0.609295  1
  S  S133  1  0.582887  0.042396  0.611027  1
  S  S134  1  0.666200  0.167062  0.610987  1
  S  S135  1  0.749625  0.291249  0.610923  1
  S  S136  1  0.832752  0.415272  0.610909  1
  S  S137  1  0.915790  0.537980  0.611675  1
  S  S138  1  0.000000  0.658088  0.612934  1
  S  S139  1  0.748970  0.042789  0.610964  1
  S  S140  1  0.833068  0.166736  0.610919  1
  S  S141  1  0.916492  0.290925  0.610921  1
  S  S142  1  0.000000  0.414869  0.610880  1
  S  S143  1  0.916493  0.042139  0.610814  1
  S  S144  1  0.000000  0.166560  0.610777  1
