# 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  0.083305  0.794781  0.301097  1
  W  W2  1  0.005145  0.749491  0.506902  1
  W  W3  1  0.083358  0.874674  0.509468  1
  W  W4  1  0.000019  0.500136  0.501205  1
  W  W5  1  0.083327  0.625405  0.504256  1
  W  W6  1  0.161498  0.749517  0.506881  1
  W  W7  1  0.248174  0.874691  0.503478  1
  W  W8  1  -0.000021  0.250003  0.499950  1
  W  W9  1  0.083332  0.375065  0.500422  1
  W  W10  1  0.166636  0.500140  0.501205  1
  W  W11  1  0.249292  0.625489  0.501144  1
  W  W12  1  0.331835  0.749952  0.500664  1
  W  W13  1  0.416062  0.874775  0.500133  1
  W  W14  1  0.000290  -0.000198  0.502323  1
  W  W15  1  0.083337  0.125016  0.500622  1
  W  W16  1  0.166689  0.250005  0.499952  1
  W  W17  1  0.250009  0.375059  0.499931  1
  W  W18  1  0.333134  0.500243  0.499752  1
  W  W19  1  0.416296  0.625181  0.499275  1
  W  W20  1  0.499547  0.750060  0.498946  1
  W  W21  1  0.583335  0.874855  0.499263  1
  W  W22  1  0.166392  -0.000192  0.502328  1
  W  W23  1  0.249971  0.124879  0.500163  1
  W  W24  1  0.333371  0.249969  0.499524  1
  W  W25  1  0.416642  0.375091  0.499317  1
  W  W26  1  0.499911  0.500190  0.499021  1
  W  W27  1  0.583331  0.625191  0.498696  1
  W  W28  1  0.667116  0.750057  0.498950  1
  W  W29  1  0.750613  0.874770  0.500132  1
  W  W30  1  0.332956  -0.000269  0.500742  1
  W  W31  1  0.416620  0.124809  0.499670  1
  W  W32  1  0.500008  0.249951  0.499273  1
  W  W33  1  0.583332  0.375095  0.499109  1
  W  W34  1  0.666745  0.500190  0.499026  1
  W  W35  1  0.750366  0.625179  0.499282  1
  W  W36  1  0.834824  0.749950  0.500669  1
  W  W37  1  0.918505  0.874682  0.503470  1
  W  W38  1  0.499852  -0.000237  0.499692  1
  W  W39  1  0.583339  0.124818  0.499415  1
  W  W40  1  0.666663  0.249950  0.499272  1
  W  W41  1  0.750022  0.375089  0.499320  1
  W  W42  1  0.833519  0.500238  0.499756  1
  W  W43  1  0.917365  0.625480  0.501151  1
  W  W44  1  0.666825  -0.000240  0.499686  1
  W  W45  1  0.750055  0.124806  0.499664  1
  W  W46  1  0.833299  0.249965  0.499518  1
  W  W47  1  0.916652  0.375057  0.499931  1
  W  W48  1  0.833719  -0.000275  0.500733  1
  W  W49  1  0.916704  0.124873  0.500159  1
  S  S50  1  0.164269  0.914384  0.393618  1
  S  S51  1  0.083327  0.542633  0.391646  1
  S  S52  1  0.163610  0.668525  0.392489  1
  S  S53  1  0.243990  0.791397  0.393633  1
  S  S54  1  0.331385  0.915857  0.391025  1
  S  S55  1  0.083334  0.291822  0.389365  1
  S  S56  1  0.166497  0.417077  0.389821  1
  S  S57  1  0.249188  0.542331  0.389984  1
  S  S58  1  0.332052  0.667036  0.389536  1
  S  S59  1  0.415016  0.791684  0.389193  1
  S  S60  1  0.499426  0.916419  0.389012  1
  S  S61  1  0.083339  0.041114  0.390973  1
  S  S62  1  0.166568  0.166456  0.389468  1
  S  S63  1  0.249893  0.291724  0.389045  1
  S  S64  1  0.333059  0.416884  0.388949  1
  S  S65  1  0.416193  0.541849  0.388565  1
  S  S66  1  0.499557  0.666810  0.388193  1
  S  S67  1  0.583333  0.791668  0.388357  1
  S  S68  1  0.667248  0.916413  0.389011  1
  S  S69  1  0.249312  0.040939  0.390257  1
  S  S70  1  0.333177  0.166409  0.389042  1
  S  S71  1  0.416600  0.291654  0.388630  1
  S  S72  1  0.499888  0.416745  0.388427  1
  S  S73  1  0.583328  0.541767  0.388174  1
  S  S74  1  0.667111  0.666809  0.388197  1
  S  S75  1  0.751646  0.791680  0.389192  1
  S  S76  1  0.835292  0.915851  0.391018  1
  S  S77  1  0.416104  0.041194  0.389329  1
  S  S78  1  0.499902  0.166431  0.388740  1
  S  S79  1  0.583335  0.291624  0.388504  1
  S  S80  1  0.666777  0.416746  0.388431  1
  S  S81  1  0.750461  0.541848  0.388570  1
  S  S82  1  0.834610  0.667032  0.389543  1
  S  S83  1  0.922675  0.791383  0.393634  1
  S  S84  1  0.002427  0.914372  0.393625  1
  S  S85  1  0.583337  0.041325  0.388901  1
  S  S86  1  0.666773  0.166431  0.388738  1
  S  S87  1  0.750069  0.291653  0.388630  1
  S  S88  1  0.833601  0.416882  0.388951  1
  S  S89  1  0.917460  0.542323  0.389986  1
  S  S90  1  0.003039  0.668512  0.392489  1
  S  S91  1  0.750571  0.041189  0.389321  1
  S  S92  1  0.833497  0.166404  0.389035  1
  S  S93  1  0.916776  0.291723  0.389042  1
  S  S94  1  0.000164  0.417073  0.389821  1
  S  S95  1  0.917365  0.040932  0.390254  1
  S  S96  1  0.000105  0.166453  0.389466  1
  S  S97  1  0.083324  0.792407  0.620150  1
  S  S98  1  0.167175  0.917772  0.616098  1
  S  S99  1  0.083326  0.540827  0.613067  1
  S  S100  1  0.167450  0.666701  0.615222  1
  S  S101  1  0.249006  0.790835  0.613725  1
  S  S102  1  0.333432  0.916494  0.611825  1
  S  S103  1  0.083333  0.291570  0.610785  1
  S  S104  1  0.166871  0.416407  0.611231  1
  S  S105  1  0.250354  0.541762  0.611353  1
  S  S106  1  0.333436  0.666759  0.610810  1
  S  S107  1  0.416263  0.791312  0.610366  1
  S  S108  1  0.500035  0.916376  0.610267  1
  S  S109  1  0.083336  0.042249  0.612372  1
  S  S110  1  0.166832  0.166822  0.610931  1
  S  S111  1  0.250199  0.291627  0.610466  1
  S  S112  1  0.333527  0.416764  0.610335  1
  S  S113  1  0.416779  0.541881  0.610015  1
  S  S114  1  0.499992  0.666777  0.609538  1
  S  S115  1  0.583332  0.791423  0.609546  1
  S  S116  1  0.666640  0.916374  0.610262  1
  S  S117  1  0.250243  0.042012  0.611692  1
  S  S118  1  0.333524  0.166726  0.610446  1
  S  S119  1  0.416798  0.291713  0.610065  1
  S  S120  1  0.500054  0.416862  0.609823  1
  S  S121  1  0.583325  0.541948  0.609544  1
  S  S122  1  0.666671  0.666772  0.609540  1
  S  S123  1  0.750399  0.791309  0.610371  1
  S  S124  1  0.833249  0.916491  0.611816  1
  S  S125  1  0.416788  0.041575  0.610693  1
  S  S126  1  0.500092  0.166618  0.610124  1
  S  S127  1  0.583335  0.291748  0.609899  1
  S  S128  1  0.666607  0.416861  0.609828  1
  S  S129  1  0.749876  0.541878  0.610022  1
  S  S130  1  0.833226  0.666759  0.610816  1
  S  S131  1  0.917645  0.790839  0.613732  1
  S  S132  1  -0.000490  0.917763  0.616086  1
  S  S133  1  0.583342  0.041488  0.610218  1
  S  S134  1  0.666587  0.166616  0.610121  1
  S  S135  1  0.749874  0.291709  0.610064  1
  S  S136  1  0.833135  0.416759  0.610340  1
  S  S137  1  0.916299  0.541752  0.611356  1
  S  S138  1  -0.000791  0.666685  0.615238  1
  S  S139  1  0.749889  0.041570  0.610688  1
  S  S140  1  0.833149  0.166721  0.610440  1
  S  S141  1  0.916466  0.291623  0.610463  1
  S  S142  1  -0.000210  0.416403  0.611231  1
  S  S143  1  0.916435  0.042002  0.611683  1
  S  S144  1  -0.000161  0.166819  0.610929  1
