# 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  0.791667  0.288357  1
  W  W2  1  0.003186  0.751609  0.507958  1
  W  W3  1  0.083333  0.871846  0.507964  1
  W  W4  1  0.000067  0.500768  0.500607  1
  W  W5  1  0.083333  0.626880  0.503698  1
  W  W6  1  0.163481  0.751609  0.507958  1
  W  W7  1  0.248192  0.874078  0.503671  1
  W  W8  1  0.000068  0.250140  0.499663  1
  W  W9  1  0.083333  0.375470  0.499960  1
  W  W10  1  0.166600  0.500768  0.500607  1
  W  W11  1  0.249472  0.625947  0.500910  1
  W  W12  1  0.332218  0.749905  0.500852  1
  W  W13  1  0.416075  0.874622  0.500468  1
  W  W14  1  0.000667  -0.000796  0.500920  1
  W  W15  1  0.083333  0.124873  0.499785  1
  W  W16  1  0.166599  0.250140  0.499663  1
  W  W17  1  0.249889  0.375341  0.499796  1
  W  W18  1  0.333092  0.500437  0.499802  1
  W  W19  1  0.416441  0.625102  0.499744  1
  W  W20  1  0.499683  0.749870  0.499585  1
  W  W21  1  0.583333  0.874736  0.499674  1
  W  W22  1  0.166000  -0.000796  0.500920  1
  W  W23  1  0.249674  0.124701  0.499786  1
  W  W24  1  0.333159  0.249989  0.499716  1
  W  W25  1  0.416548  0.375110  0.499789  1
  W  W26  1  0.499921  0.500056  0.499723  1
  W  W27  1  0.583333  0.624990  0.499538  1
  W  W28  1  0.666983  0.749870  0.499585  1
  W  W29  1  0.750591  0.874622  0.500468  1
  W  W30  1  0.332698  -0.000412  0.500580  1
  W  W31  1  0.416423  0.124757  0.499836  1
  W  W32  1  0.499907  0.249893  0.499861  1
  W  W33  1  0.583333  0.374981  0.499886  1
  W  W34  1  0.666746  0.500056  0.499723  1
  W  W35  1  0.750226  0.625102  0.499744  1
  W  W36  1  0.834448  0.749905  0.500852  1
  W  W37  1  0.918475  0.874078  0.503671  1
  W  W38  1  0.499762  -0.000330  0.499906  1
  W  W39  1  0.583333  0.124768  0.499795  1
  W  W40  1  0.666760  0.249893  0.499861  1
  W  W41  1  0.750119  0.375110  0.499789  1
  W  W42  1  0.833574  0.500437  0.499802  1
  W  W43  1  0.917195  0.625947  0.500911  1
  W  W44  1  0.666905  -0.000330  0.499906  1
  W  W45  1  0.750244  0.124757  0.499836  1
  W  W46  1  0.833508  0.249989  0.499716  1
  W  W47  1  0.916777  0.375341  0.499796  1
  W  W48  1  0.833968  -0.000412  0.500580  1
  W  W49  1  0.916993  0.124701  0.499786  1
  S  S50  1  0.164300  0.913014  0.393287  1
  S  S51  1  0.083333  0.543723  0.391162  1
  S  S52  1  0.164155  0.670312  0.393269  1
  S  S53  1  0.245156  0.791732  0.393280  1
  S  S54  1  0.331390  0.915651  0.391142  1
  S  S55  1  0.083333  0.292060  0.389064  1
  S  S56  1  0.166531  0.417494  0.389444  1
  S  S57  1  0.249382  0.542711  0.389675  1
  S  S58  1  0.332581  0.667021  0.389617  1
  S  S59  1  0.415466  0.791551  0.389582  1
  S  S60  1  0.499411  0.916282  0.389355  1
  S  S61  1  0.083333  0.040995  0.389667  1
  S  S62  1  0.166580  0.166591  0.388989  1
  S  S63  1  0.249918  0.291893  0.389003  1
  S  S64  1  0.333191  0.417005  0.389075  1
  S  S65  1  0.416478  0.541803  0.388966  1
  S  S66  1  0.499787  0.666629  0.388828  1
  S  S67  1  0.583333  0.791488  0.388909  1
  S  S68  1  0.667256  0.916282  0.389355  1
  S  S69  1  0.249298  0.040743  0.389701  1
  S  S70  1  0.333074  0.166442  0.389097  1
  S  S71  1  0.416586  0.291659  0.389098  1
  S  S72  1  0.499973  0.416639  0.389077  1
  S  S73  1  0.583333  0.541612  0.388930  1
  S  S74  1  0.666880  0.666629  0.388828  1
  S  S75  1  0.751201  0.791551  0.389582  1
  S  S76  1  0.835276  0.915650  0.391142  1
  S  S77  1  0.416058  0.041149  0.389463  1
  S  S78  1  0.499875  0.166459  0.389147  1
  S  S79  1  0.583333  0.291559  0.389190  1
  S  S80  1  0.666694  0.416639  0.389077  1
  S  S81  1  0.750189  0.541803  0.388966  1
  S  S82  1  0.834086  0.667021  0.389617  1
  S  S83  1  0.921511  0.791731  0.393280  1
  S  S84  1  0.002367  0.913014  0.393287  1
  S  S85  1  0.583333  0.041304  0.389219  1
  S  S86  1  0.666791  0.166459  0.389147  1
  S  S87  1  0.750081  0.291659  0.389098  1
  S  S88  1  0.833476  0.417005  0.389075  1
  S  S89  1  0.917285  0.542711  0.389675  1
  S  S90  1  0.002511  0.670312  0.393269  1
  S  S91  1  0.750609  0.041149  0.389463  1
  S  S92  1  0.833592  0.166442  0.389097  1
  S  S93  1  0.916748  0.291893  0.389003  1
  S  S94  1  0.000136  0.417494  0.389444  1
  S  S95  1  0.917369  0.040743  0.389701  1
  S  S96  1  0.000086  0.166591  0.388989  1
  S  S97  1  0.083334  0.791693  0.621505  1
  S  S98  1  0.165636  0.917029  0.614947  1
  S  S99  1  0.083333  0.541866  0.612024  1
  S  S100  1  0.167510  0.667320  0.614964  1
  S  S101  1  0.249852  0.790700  0.614918  1
  S  S102  1  0.333277  0.916542  0.611916  1
  S  S103  1  0.083333  0.291880  0.610441  1
  S  S104  1  0.166701  0.416982  0.610780  1
  S  S105  1  0.250149  0.542136  0.611060  1
  S  S106  1  0.333441  0.666624  0.611098  1
  S  S107  1  0.416486  0.791262  0.610867  1
  S  S108  1  0.499972  0.916356  0.610608  1
  S  S109  1  0.083333  0.041836  0.611122  1
  S  S110  1  0.166570  0.166742  0.610434  1
  S  S111  1  0.249917  0.291829  0.610420  1
  S  S112  1  0.333251  0.416948  0.610459  1
  S  S113  1  0.416621  0.541781  0.610490  1
  S  S114  1  0.499962  0.666604  0.610335  1
  S  S115  1  0.583333  0.791395  0.610193  1
  S  S116  1  0.666694  0.916356  0.610608  1
  S  S117  1  0.249507  0.041603  0.611014  1
  S  S118  1  0.333067  0.166552  0.610406  1
  S  S119  1  0.416514  0.291662  0.610488  1
  S  S120  1  0.499937  0.416697  0.610550  1
  S  S121  1  0.583333  0.541699  0.610408  1
  S  S122  1  0.666704  0.666604  0.610335  1
  S  S123  1  0.750181  0.791262  0.610867  1
  S  S124  1  0.833390  0.916542  0.611916  1
  S  S125  1  0.416483  0.041484  0.610713  1
  S  S126  1  0.499903  0.166471  0.610498  1
  S  S127  1  0.583333  0.291555  0.610581  1
  S  S128  1  0.666730  0.416697  0.610550  1
  S  S129  1  0.750046  0.541781  0.610490  1
  S  S130  1  0.833226  0.666624  0.611098  1
  S  S131  1  0.916815  0.790700  0.614919  1
  S  S132  1  0.001031  0.917029  0.614947  1
  S  S133  1  0.583333  0.041392  0.610455  1
  S  S134  1  0.666764  0.166471  0.610498  1
  S  S135  1  0.750153  0.291662  0.610488  1
  S  S136  1  0.833415  0.416948  0.610459  1
  S  S137  1  0.916517  0.542136  0.611060  1
  S  S138  1  -0.000843  0.667320  0.614965  1
  S  S139  1  0.750183  0.041484  0.610712  1
  S  S140  1  0.833600  0.166552  0.610406  1
  S  S141  1  0.916750  0.291829  0.610420  1
  S  S142  1  -0.000035  0.416982  0.610780  1
  S  S143  1  0.917160  0.041603  0.611014  1
  S  S144  1  0.000097  0.166742  0.610434  1
