# 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  0.791545  0.275709  1
  W  W2  1  0.003293  0.751711  0.508368  1
  W  W3  1  0.083333  0.871708  0.508359  1
  W  W4  1  0.000171  0.500933  0.500744  1
  W  W5  1  0.083333  0.626960  0.504136  1
  W  W6  1  0.163374  0.751711  0.508368  1
  W  W7  1  0.248186  0.874065  0.504106  1
  W  W8  1  0.000097  0.250062  0.499599  1
  W  W9  1  0.083333  0.375511  0.500002  1
  W  W10  1  0.166496  0.500933  0.500744  1
  W  W11  1  0.249411  0.626027  0.501168  1
  W  W12  1  0.332191  0.750025  0.501107  1
  W  W13  1  0.415952  0.874608  0.500580  1
  W  W14  1  0.000627  -0.000912  0.501168  1
  W  W15  1  0.083333  0.124577  0.499736  1
  W  W16  1  0.166570  0.250062  0.499599  1
  W  W17  1  0.249803  0.375364  0.499777  1
  W  W18  1  0.332978  0.500651  0.499796  1
  W  W19  1  0.416244  0.625307  0.499698  1
  W  W20  1  0.499628  0.749941  0.499554  1
  W  W21  1  0.583333  0.874689  0.499661  1
  W  W22  1  0.166039  -0.000912  0.501168  1
  W  W23  1  0.249529  0.124507  0.499774  1
  W  W24  1  0.333053  0.249890  0.499674  1
  W  W25  1  0.416439  0.375190  0.499751  1
  W  W26  1  0.499883  0.500210  0.499638  1
  W  W27  1  0.583333  0.625222  0.499424  1
  W  W28  1  0.667038  0.749941  0.499553  1
  W  W29  1  0.750714  0.874608  0.500579  1
  W  W30  1  0.332617  -0.000630  0.500699  1
  W  W31  1  0.416363  0.124633  0.499825  1
  W  W32  1  0.499841  0.249820  0.499852  1
  W  W33  1  0.583333  0.375079  0.499866  1
  W  W34  1  0.666783  0.500210  0.499638  1
  W  W35  1  0.750422  0.625306  0.499698  1
  W  W36  1  0.834476  0.750025  0.501106  1
  W  W37  1  0.918481  0.874065  0.504106  1
  W  W38  1  0.499704  -0.000463  0.499939  1
  W  W39  1  0.583333  0.124579  0.499791  1
  W  W40  1  0.666826  0.249820  0.499852  1
  W  W41  1  0.750228  0.375189  0.499751  1
  W  W42  1  0.833689  0.500651  0.499796  1
  W  W43  1  0.917256  0.626027  0.501168  1
  W  W44  1  0.666962  -0.000463  0.499939  1
  W  W45  1  0.750304  0.124632  0.499825  1
  W  W46  1  0.833613  0.249890  0.499674  1
  W  W47  1  0.916863  0.375364  0.499777  1
  W  W48  1  0.834049  -0.000630  0.500699  1
  W  W49  1  0.917137  0.124507  0.499774  1
  S  S50  1  0.164185  0.912735  0.393716  1
  S  S51  1  0.083333  0.543938  0.391362  1
  S  S52  1  0.163974  0.670575  0.393712  1
  S  S53  1  0.244878  0.791782  0.393712  1
  S  S54  1  0.331249  0.915511  0.391284  1
  S  S55  1  0.083333  0.292064  0.389143  1
  S  S56  1  0.166472  0.417675  0.389586  1
  S  S57  1  0.249199  0.542976  0.389806  1
  S  S58  1  0.332291  0.667259  0.389786  1
  S  S59  1  0.415255  0.791587  0.389660  1
  S  S60  1  0.499326  0.916146  0.389426  1
  S  S61  1  0.083333  0.040615  0.389818  1
  S  S62  1  0.166508  0.166412  0.389032  1
  S  S63  1  0.249822  0.291890  0.389094  1
  S  S64  1  0.333050  0.417151  0.389222  1
  S  S65  1  0.416322  0.542022  0.389031  1
  S  S66  1  0.499659  0.666792  0.388815  1
  S  S67  1  0.583333  0.791517  0.388897  1
  S  S68  1  0.667340  0.916146  0.389426  1
  S  S69  1  0.249182  0.040453  0.389815  1
  S  S70  1  0.332950  0.166263  0.389224  1
  S  S71  1  0.416495  0.291643  0.389302  1
  S  S72  1  0.499912  0.416758  0.389248  1
  S  S73  1  0.583333  0.541810  0.388993  1
  S  S74  1  0.667007  0.666792  0.388815  1
  S  S75  1  0.751412  0.791587  0.389660  1
  S  S76  1  0.835417  0.915511  0.391284  1
  S  S77  1  0.415930  0.040943  0.389592  1
  S  S78  1  0.499826  0.166297  0.389336  1
  S  S79  1  0.583333  0.291544  0.389458  1
  S  S80  1  0.666755  0.416758  0.389247  1
  S  S81  1  0.750345  0.542021  0.389031  1
  S  S82  1  0.834376  0.667259  0.389786  1
  S  S83  1  0.921789  0.791782  0.393712  1
  S  S84  1  0.002481  0.912735  0.393716  1
  S  S85  1  0.583333  0.041103  0.389319  1
  S  S86  1  0.666840  0.166296  0.389336  1
  S  S87  1  0.750172  0.291643  0.389302  1
  S  S88  1  0.833617  0.417151  0.389222  1
  S  S89  1  0.917467  0.542976  0.389805  1
  S  S90  1  0.002692  0.670575  0.393712  1
  S  S91  1  0.750736  0.040943  0.389592  1
  S  S92  1  0.833716  0.166263  0.389224  1
  S  S93  1  0.916845  0.291890  0.389094  1
  S  S94  1  0.000194  0.417675  0.389586  1
  S  S95  1  0.917484  0.040453  0.389815  1
  S  S96  1  0.000159  0.166412  0.389032  1
  S  S97  1  0.083333  0.791704  0.622134  1
  S  S98  1  0.165623  0.916888  0.615417  1
  S  S99  1  0.083333  0.541967  0.612350  1
  S  S100  1  0.167430  0.667433  0.615427  1
  S  S101  1  0.249762  0.790755  0.615392  1
  S  S102  1  0.333276  0.916462  0.612258  1
  S  S103  1  0.083333  0.291834  0.610276  1
  S  S104  1  0.166672  0.417067  0.610712  1
  S  S105  1  0.250066  0.542297  0.611186  1
  S  S106  1  0.333332  0.666780  0.611327  1
  S  S107  1  0.416444  0.791279  0.610996  1
  S  S108  1  0.499965  0.916225  0.610582  1
  S  S109  1  0.083333  0.041618  0.611346  1
  S  S110  1  0.166484  0.166592  0.610269  1
  S  S111  1  0.249805  0.291806  0.610232  1
  S  S112  1  0.333141  0.417089  0.610271  1
  S  S113  1  0.416529  0.541985  0.610319  1
  S  S114  1  0.499908  0.666727  0.610193  1
  S  S115  1  0.583333  0.791375  0.610113  1
  S  S116  1  0.666702  0.916225  0.610582  1
  S  S117  1  0.249454  0.041439  0.611140  1
  S  S118  1  0.332930  0.166412  0.610230  1
  S  S119  1  0.416400  0.291657  0.610239  1
  S  S120  1  0.499867  0.416849  0.610304  1
  S  S121  1  0.583333  0.541911  0.610142  1
  S  S122  1  0.666759  0.666727  0.610192  1
  S  S123  1  0.750223  0.791279  0.610996  1
  S  S124  1  0.833390  0.916462  0.612258  1
  S  S125  1  0.416416  0.041331  0.610634  1
  S  S126  1  0.499843  0.166326  0.610298  1
  S  S127  1  0.583333  0.291552  0.610315  1
  S  S128  1  0.666799  0.416849  0.610303  1
  S  S129  1  0.750138  0.541986  0.610319  1
  S  S130  1  0.833335  0.666780  0.611327  1
  S  S131  1  0.916904  0.790755  0.615391  1
  S  S132  1  0.001044  0.916888  0.615417  1
  S  S133  1  0.583333  0.041195  0.610367  1
  S  S134  1  0.666823  0.166326  0.610299  1
  S  S135  1  0.750266  0.291657  0.610239  1
  S  S136  1  0.833525  0.417089  0.610271  1
  S  S137  1  0.916601  0.542297  0.611186  1
  S  S138  1  -0.000763  0.667433  0.615427  1
  S  S139  1  0.750250  0.041331  0.610634  1
  S  S140  1  0.833736  0.166412  0.610230  1
  S  S141  1  0.916861  0.291806  0.610232  1
  S  S142  1  -0.000006  0.417067  0.610712  1
  S  S143  1  0.917212  0.041439  0.611140  1
  S  S144  1  0.000182  0.166592  0.610269  1
