# generated using pymatgen
data_SbW48S95
_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   SbW48S95
_chemical_formula_sum   'Sb1 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
  Sb  Sb1  1  0.083333  0.791781  0.343009  1
  W  W2  1  0.002800  0.750705  0.503700  1
  W  W3  1  0.083333  0.873398  0.503428  1
  W  W4  1  0.000005  0.500276  0.500234  1
  W  W5  1  0.083333  0.626578  0.501887  1
  W  W6  1  0.163866  0.750705  0.503700  1
  W  W7  1  0.248201  0.874317  0.501614  1
  W  W8  1  0.000035  0.250168  0.499955  1
  W  W9  1  0.083333  0.375520  0.500100  1
  W  W10  1  0.166662  0.500276  0.500234  1
  W  W11  1  0.250043  0.625239  0.500057  1
  W  W12  1  0.332910  0.749903  0.499990  1
  W  W13  1  0.416584  0.874747  0.500066  1
  W  W14  1  0.000235  -0.000095  0.500190  1
  W  W15  1  0.083333  0.125273  0.499958  1
  W  W16  1  0.166632  0.250168  0.499955  1
  W  W17  1  0.249870  0.375196  0.499984  1
  W  W18  1  0.333218  0.500447  0.499831  1
  W  W19  1  0.416792  0.625001  0.499871  1
  W  W20  1  0.499790  0.749882  0.499826  1
  W  W21  1  0.583333  0.874772  0.499977  1
  W  W22  1  0.166432  -0.000095  0.500190  1
  W  W23  1  0.249618  0.124787  0.499842  1
  W  W24  1  0.333175  0.250051  0.499911  1
  W  W25  1  0.416560  0.375102  0.499952  1
  W  W26  1  0.500014  0.500074  0.499941  1
  W  W27  1  0.583333  0.625192  0.499934  1
  W  W28  1  0.666877  0.749882  0.499826  1
  W  W29  1  0.750083  0.874747  0.500066  1
  W  W30  1  0.333046  -0.000149  0.500173  1
  W  W31  1  0.416548  0.124822  0.499983  1
  W  W32  1  0.499842  0.249878  0.499962  1
  W  W33  1  0.583333  0.375090  0.500003  1
  W  W34  1  0.666653  0.500074  0.499941  1
  W  W35  1  0.749875  0.625001  0.499871  1
  W  W36  1  0.833757  0.749903  0.499990  1
  W  W37  1  0.918466  0.874317  0.501614  1
  W  W38  1  0.499643  -0.000420  0.500067  1
  W  W39  1  0.583333  0.124654  0.499970  1
  W  W40  1  0.666825  0.249878  0.499962  1
  W  W41  1  0.750106  0.375102  0.499952  1
  W  W42  1  0.833448  0.500447  0.499831  1
  W  W43  1  0.916623  0.625239  0.500057  1
  W  W44  1  0.667024  -0.000420  0.500067  1
  W  W45  1  0.750118  0.124822  0.499983  1
  W  W46  1  0.833491  0.250051  0.499911  1
  W  W47  1  0.916797  0.375196  0.499984  1
  W  W48  1  0.833621  -0.000149  0.500173  1
  W  W49  1  0.917048  0.124787  0.499842  1
  S  S50  1  0.166035  0.915392  0.390735  1
  S  S51  1  0.083333  0.542947  0.390435  1
  S  S52  1  0.165442  0.667617  0.390983  1
  S  S53  1  0.247740  0.791952  0.390939  1
  S  S54  1  0.332138  0.915952  0.390363  1
  S  S55  1  0.083333  0.292044  0.389422  1
  S  S56  1  0.166550  0.417090  0.389356  1
  S  S57  1  0.249693  0.541931  0.389212  1
  S  S58  1  0.333270  0.666741  0.389321  1
  S  S59  1  0.416340  0.791639  0.389121  1
  S  S60  1  0.499819  0.916344  0.389189  1
  S  S61  1  0.083333  0.041706  0.389576  1
  S  S62  1  0.166599  0.166776  0.389198  1
  S  S63  1  0.249870  0.291822  0.389255  1
  S  S64  1  0.333216  0.416871  0.389415  1
  S  S65  1  0.416656  0.541791  0.389196  1
  S  S66  1  0.499994  0.666714  0.389068  1
  S  S67  1  0.583333  0.791540  0.389170  1
  S  S68  1  0.666848  0.916344  0.389189  1
  S  S69  1  0.249840  0.041347  0.389270  1
  S  S70  1  0.333145  0.166530  0.389465  1
  S  S71  1  0.416548  0.291662  0.389365  1
  S  S72  1  0.499951  0.416720  0.389378  1
  S  S73  1  0.583333  0.541793  0.389353  1
  S  S74  1  0.666673  0.666714  0.389068  1
  S  S75  1  0.750326  0.791639  0.389121  1
  S  S76  1  0.834528  0.915952  0.390363  1
  S  S77  1  0.416413  0.041257  0.389437  1
  S  S78  1  0.499931  0.166421  0.389437  1
  S  S79  1  0.583333  0.291587  0.389545  1
  S  S80  1  0.666716  0.416720  0.389378  1
  S  S81  1  0.750011  0.541791  0.389196  1
  S  S82  1  0.833397  0.666741  0.389321  1
  S  S83  1  0.918927  0.791952  0.390939  1
  S  S84  1  0.000632  0.915392  0.390735  1
  S  S85  1  0.583333  0.041146  0.389585  1
  S  S86  1  0.666736  0.166421  0.389437  1
  S  S87  1  0.750118  0.291662  0.389365  1
  S  S88  1  0.833451  0.416871  0.389415  1
  S  S89  1  0.916973  0.541931  0.389212  1
  S  S90  1  0.001225  0.667617  0.390983  1
  S  S91  1  0.750254  0.041257  0.389437  1
  S  S92  1  0.833522  0.166530  0.389465  1
  S  S93  1  0.916797  0.291822  0.389255  1
  S  S94  1  0.000116  0.417090  0.389356  1
  S  S95  1  0.916826  0.041347  0.389270  1
  S  S96  1  0.000068  0.166776  0.389198  1
  S  S97  1  0.083333  0.791910  0.615941  1
  S  S98  1  0.165955  0.917098  0.613009  1
  S  S99  1  0.083333  0.542017  0.610935  1
  S  S100  1  0.167586  0.667048  0.612923  1
  S  S101  1  0.249709  0.790814  0.612577  1
  S  S102  1  0.332946  0.916341  0.610641  1
  S  S103  1  0.083333  0.291916  0.610570  1
  S  S104  1  0.166727  0.416972  0.610866  1
  S  S105  1  0.250074  0.541907  0.610980  1
  S  S106  1  0.333471  0.666730  0.610745  1
  S  S107  1  0.416413  0.791411  0.610832  1
  S  S108  1  0.499931  0.916272  0.610872  1
  S  S109  1  0.083333  0.041901  0.610824  1
  S  S110  1  0.166586  0.166761  0.610714  1
  S  S111  1  0.249872  0.291806  0.610631  1
  S  S112  1  0.333240  0.416949  0.610433  1
  S  S113  1  0.416656  0.541848  0.610676  1
  S  S114  1  0.499923  0.666711  0.610740  1
  S  S115  1  0.583333  0.791436  0.610579  1
  S  S116  1  0.666736  0.916272  0.610872  1
  S  S117  1  0.249740  0.041607  0.610985  1
  S  S118  1  0.333058  0.166548  0.610367  1
  S  S119  1  0.416527  0.291666  0.610526  1
  S  S120  1  0.499929  0.416744  0.610578  1
  S  S121  1  0.583333  0.541805  0.610571  1
  S  S122  1  0.666744  0.666711  0.610740  1
  S  S123  1  0.750254  0.791411  0.610832  1
  S  S124  1  0.833720  0.916341  0.610641  1
  S  S125  1  0.416396  0.041423  0.610728  1
  S  S126  1  0.499933  0.166442  0.610506  1
  S  S127  1  0.583333  0.291571  0.610418  1
  S  S128  1  0.666738  0.416744  0.610578  1
  S  S129  1  0.750011  0.541848  0.610676  1
  S  S130  1  0.833196  0.666730  0.610745  1
  S  S131  1  0.916957  0.790814  0.612577  1
  S  S132  1  0.000712  0.917098  0.613009  1
  S  S133  1  0.583333  0.041264  0.610441  1
  S  S134  1  0.666734  0.166442  0.610506  1
  S  S135  1  0.750139  0.291666  0.610526  1
  S  S136  1  0.833426  0.416949  0.610433  1
  S  S137  1  0.916592  0.541907  0.610980  1
  S  S138  1  -0.000919  0.667048  0.612923  1
  S  S139  1  0.750270  0.041423  0.610728  1
  S  S140  1  0.833609  0.166548  0.610367  1
  S  S141  1  0.916795  0.291806  0.610631  1
  S  S142  1  -0.000060  0.416972  0.610866  1
  S  S143  1  0.916927  0.041607  0.610985  1
  S  S144  1  0.000081  0.166761  0.610714  1
