# generated using pymatgen
data_InW48S95
_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   InW48S95
_chemical_formula_sum   'In1 W48 S95'
_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  0.083333  0.791661  0.279352  1
  W  W2  1  0.003249  0.751677  0.508587  1
  W  W3  1  0.083333  0.871721  0.508553  1
  W  W4  1  0.000131  0.500906  0.501032  1
  W  W5  1  0.083333  0.626957  0.504459  1
  W  W6  1  0.163418  0.751677  0.508586  1
  W  W7  1  0.248193  0.874049  0.504297  1
  W  W8  1  0.000085  0.250045  0.499537  1
  W  W9  1  0.083333  0.375479  0.500092  1
  W  W10  1  0.166536  0.500906  0.501032  1
  W  W11  1  0.249445  0.626030  0.501348  1
  W  W12  1  0.332211  0.749993  0.501237  1
  W  W13  1  0.415988  0.874598  0.500930  1
  W  W14  1  0.000640  -0.000929  0.501291  1
  W  W15  1  0.083333  0.124610  0.499774  1
  W  W16  1  0.166581  0.250045  0.499537  1
  W  W17  1  0.249831  0.375359  0.499667  1
  W  W18  1  0.333018  0.500611  0.499657  1
  W  W19  1  0.416323  0.625285  0.499586  1
  W  W20  1  0.499644  0.749958  0.499683  1
  W  W21  1  0.583333  0.874700  0.500124  1
  W  W22  1  0.166027  -0.000929  0.501291  1
  W  W23  1  0.249598  0.124510  0.499771  1
  W  W24  1  0.333107  0.249902  0.499336  1
  W  W25  1  0.416489  0.375194  0.499126  1
  W  W26  1  0.499898  0.500221  0.499036  1
  W  W27  1  0.583333  0.625193  0.499134  1
  W  W28  1  0.667022  0.749957  0.499685  1
  W  W29  1  0.750678  0.874597  0.500930  1
  W  W30  1  0.332647  -0.000601  0.500947  1
  W  W31  1  0.416394  0.124648  0.499747  1
  W  W32  1  0.499878  0.249858  0.499190  1
  W  W33  1  0.583333  0.375091  0.498943  1
  W  W34  1  0.666769  0.500221  0.499036  1
  W  W35  1  0.750343  0.625285  0.499587  1
  W  W36  1  0.834456  0.749993  0.501238  1
  W  W37  1  0.918474  0.874049  0.504297  1
  W  W38  1  0.499733  -0.000431  0.500345  1
  W  W39  1  0.583333  0.124627  0.499704  1
  W  W40  1  0.666789  0.249858  0.499190  1
  W  W41  1  0.750178  0.375194  0.499126  1
  W  W42  1  0.833648  0.500611  0.499656  1
  W  W43  1  0.917222  0.626030  0.501348  1
  W  W44  1  0.666934  -0.000431  0.500344  1
  W  W45  1  0.750273  0.124648  0.499747  1
  W  W46  1  0.833560  0.249902  0.499336  1
  W  W47  1  0.916836  0.375359  0.499667  1
  W  W48  1  0.834020  -0.000601  0.500947  1
  W  W49  1  0.917069  0.124510  0.499771  1
  S  S50  1  0.164221  0.912723  0.393853  1
  S  S51  1  0.083333  0.543944  0.391767  1
  S  S52  1  0.163964  0.670518  0.393939  1
  S  S53  1  0.244915  0.791778  0.393861  1
  S  S54  1  0.331303  0.915492  0.391610  1
  S  S55  1  0.083333  0.292077  0.389134  1
  S  S56  1  0.166411  0.417729  0.389716  1
  S  S57  1  0.249108  0.542993  0.389972  1
  S  S58  1  0.332276  0.667261  0.389844  1
  S  S59  1  0.415275  0.791656  0.389885  1
  S  S60  1  0.499371  0.916172  0.389887  1
  S  S61  1  0.083333  0.040611  0.389913  1
  S  S62  1  0.166530  0.166368  0.389035  1
  S  S63  1  0.249767  0.291896  0.388935  1
  S  S64  1  0.332918  0.417208  0.388919  1
  S  S65  1  0.416206  0.542089  0.388718  1
  S  S66  1  0.499643  0.666910  0.388708  1
  S  S67  1  0.583333  0.791628  0.389160  1
  S  S68  1  0.667295  0.916171  0.389887  1
  S  S69  1  0.249237  0.040390  0.389968  1
  S  S70  1  0.332963  0.166173  0.389070  1
  S  S71  1  0.416429  0.291611  0.388683  1
  S  S72  1  0.499838  0.416826  0.388444  1
  S  S73  1  0.583333  0.541912  0.388411  1
  S  S74  1  0.667024  0.666909  0.388709  1
  S  S75  1  0.751391  0.791654  0.389885  1
  S  S76  1  0.835364  0.915492  0.391610  1
  S  S77  1  0.416006  0.040839  0.389817  1
  S  S78  1  0.499841  0.166160  0.389023  1
  S  S79  1  0.583333  0.291500  0.388603  1
  S  S80  1  0.666829  0.416826  0.388444  1
  S  S81  1  0.750461  0.542089  0.388718  1
  S  S82  1  0.834391  0.667261  0.389844  1
  S  S83  1  0.921752  0.791778  0.393861  1
  S  S84  1  0.002446  0.912723  0.393853  1
  S  S85  1  0.583333  0.040978  0.389604  1
  S  S86  1  0.666826  0.166160  0.389023  1
  S  S87  1  0.750238  0.291611  0.388683  1
  S  S88  1  0.833749  0.417208  0.388919  1
  S  S89  1  0.917559  0.542993  0.389971  1
  S  S90  1  0.002703  0.670518  0.393939  1
  S  S91  1  0.750661  0.040839  0.389817  1
  S  S92  1  0.833703  0.166173  0.389070  1
  S  S93  1  0.916900  0.291896  0.388935  1
  S  S94  1  0.000256  0.417729  0.389716  1
  S  S95  1  0.917429  0.040390  0.389967  1
  S  S96  1  0.000137  0.166368  0.389035  1
  S  S97  1  0.083333  0.791689  0.622302  1
  S  S98  1  0.165634  0.916915  0.615585  1
  S  S99  1  0.083333  0.541914  0.612656  1
  S  S100  1  0.167520  0.667413  0.615687  1
  S  S101  1  0.249839  0.790721  0.615569  1
  S  S102  1  0.333272  0.916481  0.612509  1
  S  S103  1  0.083333  0.291768  0.610273  1
  S  S104  1  0.166749  0.416942  0.610838  1
  S  S105  1  0.250260  0.542226  0.611321  1
  S  S106  1  0.333496  0.666703  0.611376  1
  S  S107  1  0.416480  0.791200  0.611221  1
  S  S108  1  0.499953  0.916261  0.611035  1
  S  S109  1  0.083333  0.041680  0.611408  1
  S  S110  1  0.166534  0.166616  0.610262  1
  S  S111  1  0.249943  0.291775  0.610039  1
  S  S112  1  0.333354  0.416998  0.609969  1
  S  S113  1  0.416721  0.541881  0.610031  1
  S  S114  1  0.499998  0.666620  0.610099  1
  S  S115  1  0.583332  0.791295  0.610393  1
  S  S116  1  0.666714  0.916261  0.611035  1
  S  S117  1  0.249451  0.041512  0.611267  1
  S  S118  1  0.333023  0.166531  0.610091  1
  S  S119  1  0.416559  0.291726  0.609660  1
  S  S120  1  0.499990  0.416815  0.609531  1
  S  S121  1  0.583333  0.541804  0.609633  1
  S  S122  1  0.666668  0.666619  0.610100  1
  S  S123  1  0.750186  0.791200  0.611222  1
  S  S124  1  0.833394  0.916480  0.612508  1
  S  S125  1  0.416411  0.041487  0.610873  1
  S  S126  1  0.499882  0.166553  0.610009  1
  S  S127  1  0.583333  0.291685  0.609518  1
  S  S128  1  0.666677  0.416815  0.609531  1
  S  S129  1  0.749946  0.541881  0.610031  1
  S  S130  1  0.833171  0.666702  0.611376  1
  S  S131  1  0.916828  0.790721  0.615569  1
  S  S132  1  0.001033  0.916915  0.615585  1
  S  S133  1  0.583334  0.041415  0.610673  1
  S  S134  1  0.666785  0.166553  0.610009  1
  S  S135  1  0.750107  0.291726  0.609660  1
  S  S136  1  0.833313  0.416998  0.609969  1
  S  S137  1  0.916406  0.542225  0.611322  1
  S  S138  1  -0.000853  0.667413  0.615687  1
  S  S139  1  0.750255  0.041487  0.610873  1
  S  S140  1  0.833644  0.166531  0.610091  1
  S  S141  1  0.916724  0.291775  0.610039  1
  S  S142  1  -0.000082  0.416942  0.610838  1
  S  S143  1  0.917216  0.041511  0.611267  1
  S  S144  1  0.000132  0.166616  0.610262  1
