# generated using pymatgen
data_KW48S95
_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   KW48S95
_chemical_formula_sum   'K1 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
  K  K1  1  0.083332  0.791745  0.261463  1
  W  W2  1  0.003422  0.751758  0.508899  1
  W  W3  1  0.083333  0.871600  0.508895  1
  W  W4  1  0.000109  0.500815  0.500952  1
  W  W5  1  0.083333  0.626819  0.504506  1
  W  W6  1  0.163244  0.751758  0.508899  1
  W  W7  1  0.248287  0.874119  0.504461  1
  W  W8  1  0.000090  0.250063  0.499544  1
  W  W9  1  0.083333  0.375440  0.500001  1
  W  W10  1  0.166558  0.500815  0.500952  1
  W  W11  1  0.249444  0.626013  0.501463  1
  W  W12  1  0.332201  0.749961  0.501389  1
  W  W13  1  0.416044  0.874615  0.500756  1
  W  W14  1  0.000664  -0.000874  0.501462  1
  W  W15  1  0.083333  0.124722  0.499894  1
  W  W16  1  0.166577  0.250063  0.499544  1
  W  W17  1  0.249833  0.375337  0.499765  1
  W  W18  1  0.333022  0.500520  0.499887  1
  W  W19  1  0.416378  0.625213  0.499828  1
  W  W20  1  0.499648  0.749934  0.499619  1
  W  W21  1  0.583333  0.874721  0.499737  1
  W  W22  1  0.166003  -0.000874  0.501462  1
  W  W23  1  0.249635  0.124583  0.499860  1
  W  W24  1  0.333096  0.249932  0.499590  1
  W  W25  1  0.416487  0.375163  0.499656  1
  W  W26  1  0.499895  0.500173  0.499560  1
  W  W27  1  0.583333  0.625106  0.499376  1
  W  W28  1  0.667019  0.749934  0.499619  1
  W  W29  1  0.750623  0.874615  0.500756  1
  W  W30  1  0.332681  -0.000514  0.500894  1
  W  W31  1  0.416389  0.124687  0.499814  1
  W  W32  1  0.499873  0.249880  0.499724  1
  W  W33  1  0.583333  0.375052  0.499727  1
  W  W34  1  0.666772  0.500173  0.499560  1
  W  W35  1  0.750289  0.625213  0.499828  1
  W  W36  1  0.834466  0.749961  0.501389  1
  W  W37  1  0.918379  0.874119  0.504461  1
  W  W38  1  0.499763  -0.000392  0.499969  1
  W  W39  1  0.583333  0.124694  0.499692  1
  W  W40  1  0.666794  0.249880  0.499724  1
  W  W41  1  0.750180  0.375163  0.499656  1
  W  W42  1  0.833645  0.500520  0.499887  1
  W  W43  1  0.917222  0.626013  0.501462  1
  W  W44  1  0.666903  -0.000392  0.499969  1
  W  W45  1  0.750277  0.124687  0.499814  1
  W  W46  1  0.833570  0.249932  0.499590  1
  W  W47  1  0.916833  0.375337  0.499765  1
  W  W48  1  0.833985  -0.000514  0.500894  1
  W  W49  1  0.917032  0.124583  0.499860  1
  S  S50  1  0.164108  0.912703  0.394089  1
  S  S51  1  0.083333  0.543872  0.391662  1
  S  S52  1  0.163957  0.670633  0.394085  1
  S  S53  1  0.244764  0.791743  0.394079  1
  S  S54  1  0.331258  0.915549  0.391557  1
  S  S55  1  0.083333  0.292049  0.388981  1
  S  S56  1  0.166477  0.417625  0.389569  1
  S  S57  1  0.249222  0.542923  0.389998  1
  S  S58  1  0.332344  0.667189  0.389964  1
  S  S59  1  0.415239  0.791577  0.389790  1
  S  S60  1  0.499343  0.916197  0.389452  1
  S  S61  1  0.083333  0.040702  0.390026  1
  S  S62  1  0.166536  0.166407  0.389005  1
  S  S63  1  0.249856  0.291889  0.388926  1
  S  S64  1  0.333076  0.417119  0.389093  1
  S  S65  1  0.416319  0.541955  0.388977  1
  S  S66  1  0.499671  0.666750  0.388766  1
  S  S67  1  0.583333  0.791517  0.388891  1
  S  S68  1  0.667324  0.916197  0.389452  1
  S  S69  1  0.249191  0.040492  0.389994  1
  S  S70  1  0.332986  0.166300  0.389100  1
  S  S71  1  0.416516  0.291662  0.389048  1
  S  S72  1  0.499924  0.416739  0.389004  1
  S  S73  1  0.583333  0.541745  0.388758  1
  S  S74  1  0.666996  0.666750  0.388766  1
  S  S75  1  0.751427  0.791577  0.389790  1
  S  S76  1  0.835409  0.915549  0.391557  1
  S  S77  1  0.415964  0.040999  0.389594  1
  S  S78  1  0.499823  0.166371  0.389126  1
  S  S79  1  0.583333  0.291573  0.389159  1
  S  S80  1  0.666743  0.416739  0.389004  1
  S  S81  1  0.750347  0.541955  0.388977  1
  S  S82  1  0.834323  0.667188  0.389964  1
  S  S83  1  0.921902  0.791743  0.394079  1
  S  S84  1  0.002559  0.912703  0.394089  1
  S  S85  1  0.583333  0.041174  0.389218  1
  S  S86  1  0.666844  0.166371  0.389126  1
  S  S87  1  0.750151  0.291662  0.389048  1
  S  S88  1  0.833591  0.417119  0.389093  1
  S  S89  1  0.917445  0.542923  0.389998  1
  S  S90  1  0.002709  0.670633  0.394085  1
  S  S91  1  0.750703  0.040999  0.389594  1
  S  S92  1  0.833681  0.166300  0.389100  1
  S  S93  1  0.916811  0.291889  0.388926  1
  S  S94  1  0.000190  0.417625  0.389569  1
  S  S95  1  0.917475  0.040492  0.389994  1
  S  S96  1  0.000131  0.166407  0.389005  1
  S  S97  1  0.083333  0.791704  0.622851  1
  S  S98  1  0.165678  0.916982  0.615671  1
  S  S99  1  0.083333  0.541780  0.612652  1
  S  S100  1  0.167489  0.667337  0.615688  1
  S  S101  1  0.249874  0.790743  0.615632  1
  S  S102  1  0.333421  0.916549  0.612516  1
  S  S103  1  0.083333  0.291781  0.610312  1
  S  S104  1  0.166689  0.416890  0.610874  1
  S  S105  1  0.250168  0.542133  0.611401  1
  S  S106  1  0.333541  0.666644  0.611497  1
  S  S107  1  0.416586  0.791277  0.611168  1
  S  S108  1  0.500041  0.916334  0.610738  1
  S  S109  1  0.083333  0.041840  0.611540  1
  S  S110  1  0.166553  0.166711  0.610411  1
  S  S111  1  0.249854  0.291775  0.610259  1
  S  S112  1  0.333214  0.416948  0.610396  1
  S  S113  1  0.416650  0.541844  0.610462  1
  S  S114  1  0.500032  0.666660  0.610292  1
  S  S115  1  0.583333  0.791393  0.610227  1
  S  S116  1  0.666626  0.916334  0.610738  1
  S  S117  1  0.249549  0.041585  0.611346  1
  S  S118  1  0.333042  0.166531  0.610346  1
  S  S119  1  0.416451  0.291669  0.610270  1
  S  S120  1  0.499909  0.416795  0.610315  1
  S  S121  1  0.583333  0.541819  0.610187  1
  S  S122  1  0.666634  0.666660  0.610292  1
  S  S123  1  0.750080  0.791277  0.611168  1
  S  S124  1  0.833246  0.916549  0.612516  1
  S  S125  1  0.416552  0.041462  0.610810  1
  S  S126  1  0.499893  0.166439  0.610332  1
  S  S127  1  0.583333  0.291589  0.610342  1
  S  S128  1  0.666758  0.416795  0.610315  1
  S  S129  1  0.750016  0.541844  0.610462  1
  S  S130  1  0.833126  0.666644  0.611497  1
  S  S131  1  0.916792  0.790743  0.615632  1
  S  S132  1  0.000989  0.916983  0.615671  1
  S  S133  1  0.583333  0.041361  0.610437  1
  S  S134  1  0.666773  0.166439  0.610332  1
  S  S135  1  0.750216  0.291669  0.610270  1
  S  S136  1  0.833453  0.416948  0.610396  1
  S  S137  1  0.916498  0.542133  0.611401  1
  S  S138  1  -0.000822  0.667337  0.615688  1
  S  S139  1  0.750115  0.041462  0.610810  1
  S  S140  1  0.833624  0.166531  0.610346  1
  S  S141  1  0.916813  0.291775  0.610259  1
  S  S142  1  -0.000022  0.416890  0.610874  1
  S  S143  1  0.917117  0.041585  0.611346  1
  S  S144  1  0.000114  0.166711  0.610411  1
