# generated using pymatgen
data_KW47S96
_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   KW47S96
_chemical_formula_sum   'K1 W47 S96'
_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  -0.000000  0.749768  0.500000  1
  W  W2  1  0.091727  0.878815  0.500000  1
  W  W3  1  -0.000000  0.494496  0.500000  1
  W  W4  1  0.082777  0.616409  0.500000  1
  W  W5  1  0.174327  0.754538  0.500000  1
  W  W6  1  0.254649  0.877741  0.500000  1
  W  W7  1  -0.000000  0.248640  0.500000  1
  W  W8  1  0.083787  0.372299  0.500000  1
  W  W9  1  0.168327  0.496275  0.500000  1
  W  W10  1  0.249464  0.625022  0.500000  1
  W  W11  1  0.336834  0.750516  0.500000  1
  W  W12  1  0.418113  0.876342  0.500000  1
  W  W13  1  0.000000  -0.000450  0.500000  1
  W  W14  1  0.083606  0.124668  0.500000  1
  W  W15  1  0.167170  0.249086  0.500000  1
  W  W16  1  0.250839  0.373542  0.500000  1
  W  W17  1  0.333458  0.499697  0.500000  1
  W  W18  1  0.416696  0.624924  0.500000  1
  W  W19  1  0.500000  0.750373  0.500000  1
  W  W20  1  0.581887  0.876342  0.500000  1
  W  W21  1  0.169241  0.002968  0.500000  1
  W  W22  1  0.251228  0.126138  0.500000  1
  W  W23  1  0.334000  0.250229  0.500000  1
  W  W24  1  0.416863  0.375181  0.500000  1
  W  W25  1  0.500000  0.499958  0.500000  1
  W  W26  1  0.583304  0.624924  0.500000  1
  W  W27  1  0.663166  0.750516  0.500000  1
  W  W28  1  0.745351  0.877741  0.500000  1
  W  W29  1  0.335138  0.001871  0.500000  1
  W  W30  1  0.417215  0.126211  0.500000  1
  W  W31  1  0.500000  0.250767  0.500000  1
  W  W32  1  0.583137  0.375181  0.500000  1
  W  W33  1  0.666542  0.499697  0.500000  1
  W  W34  1  0.750536  0.625022  0.500000  1
  W  W35  1  0.825673  0.754538  0.500000  1
  W  W36  1  0.908273  0.878815  0.500000  1
  W  W37  1  0.500000  0.001499  0.500000  1
  W  W38  1  0.582785  0.126211  0.500000  1
  W  W39  1  0.666000  0.250229  0.500000  1
  W  W40  1  0.749161  0.373542  0.500000  1
  W  W41  1  0.831673  0.496275  0.500000  1
  W  W42  1  0.917223  0.616409  0.500000  1
  W  W43  1  0.664862  0.001871  0.500000  1
  W  W44  1  0.748772  0.126138  0.500000  1
  W  W45  1  0.832830  0.249086  0.500000  1
  W  W46  1  0.916213  0.372299  0.500000  1
  W  W47  1  0.830759  0.002968  0.500000  1
  W  W48  1  0.916394  0.124668  0.500000  1
  S  S49  1  0.100011  0.800243  0.385183  1
  S  S50  1  0.172438  0.921308  0.388559  1
  S  S51  1  0.084854  0.534532  0.388693  1
  S  S52  1  0.164236  0.667689  0.392381  1
  S  S53  1  0.257001  0.794004  0.388652  1
  S  S54  1  0.336312  0.918915  0.388458  1
  S  S55  1  0.083587  0.289746  0.388948  1
  S  S56  1  0.167567  0.413715  0.388867  1
  S  S57  1  0.250170  0.541339  0.389400  1
  S  S58  1  0.333283  0.666466  0.389406  1
  S  S59  1  0.418487  0.792670  0.388730  1
  S  S60  1  0.500000  0.918288  0.388684  1
  S  S61  1  0.083378  0.041621  0.389240  1
  S  S62  1  0.167049  0.166300  0.389048  1
  S  S63  1  0.250524  0.290775  0.388940  1
  S  S64  1  0.333573  0.416412  0.389163  1
  S  S65  1  0.416703  0.541551  0.389315  1
  S  S66  1  0.500000  0.666583  0.389270  1
  S  S67  1  0.581513  0.792670  0.388730  1
  S  S68  1  0.663688  0.918915  0.388458  1
  S  S69  1  0.252124  0.043739  0.388707  1
  S  S70  1  0.334187  0.167546  0.388804  1
  S  S71  1  0.416912  0.292202  0.388996  1
  S  S72  1  0.500000  0.416856  0.389111  1
  S  S73  1  0.583297  0.541551  0.389315  1
  S  S74  1  0.666717  0.666466  0.389406  1
  S  S75  1  0.742999  0.794004  0.388652  1
  S  S76  1  0.827562  0.921308  0.388559  1
  S  S77  1  0.417532  0.043323  0.388717  1
  S  S78  1  0.500000  0.167853  0.388888  1
  S  S79  1  0.583088  0.292202  0.388996  1
  S  S80  1  0.666427  0.416412  0.389163  1
  S  S81  1  0.749830  0.541339  0.389400  1
  S  S82  1  0.835764  0.667689  0.392381  1
  S  S83  1  0.899989  0.800243  0.385183  1
  S  S84  1  -0.000000  0.914457  0.392247  1
  S  S85  1  0.582468  0.043323  0.388717  1
  S  S86  1  0.665813  0.167546  0.388804  1
  S  S87  1  0.749476  0.290775  0.388940  1
  S  S88  1  0.832433  0.413715  0.388867  1
  S  S89  1  0.915146  0.534532  0.388693  1
  S  S90  1  -0.000000  0.649439  0.385308  1
  S  S91  1  0.747876  0.043739  0.388707  1
  S  S92  1  0.832951  0.166300  0.389048  1
  S  S93  1  0.916412  0.289746  0.388948  1
  S  S94  1  -0.000000  0.412567  0.388608  1
  S  S95  1  0.916622  0.041621  0.389240  1
  S  S96  1  -0.000000  0.165778  0.389150  1
  S  S97  1  0.100011  0.800243  0.614817  1
  S  S98  1  0.172438  0.921308  0.611441  1
  S  S99  1  0.084854  0.534533  0.611307  1
  S  S100  1  0.164236  0.667689  0.607619  1
  S  S101  1  0.257001  0.794004  0.611348  1
  S  S102  1  0.336312  0.918915  0.611542  1
  S  S103  1  0.083587  0.289746  0.611052  1
  S  S104  1  0.167567  0.413715  0.611134  1
  S  S105  1  0.250170  0.541339  0.610600  1
  S  S106  1  0.333283  0.666466  0.610594  1
  S  S107  1  0.418487  0.792670  0.611270  1
  S  S108  1  0.500000  0.918288  0.611316  1
  S  S109  1  0.083379  0.041621  0.610760  1
  S  S110  1  0.167049  0.166300  0.610953  1
  S  S111  1  0.250524  0.290775  0.611060  1
  S  S112  1  0.333573  0.416412  0.610838  1
  S  S113  1  0.416703  0.541551  0.610685  1
  S  S114  1  0.500000  0.666583  0.610729  1
  S  S115  1  0.581513  0.792670  0.611270  1
  S  S116  1  0.663688  0.918915  0.611542  1
  S  S117  1  0.252124  0.043739  0.611293  1
  S  S118  1  0.334187  0.167546  0.611196  1
  S  S119  1  0.416912  0.292202  0.611004  1
  S  S120  1  0.500000  0.416856  0.610890  1
  S  S121  1  0.583297  0.541551  0.610685  1
  S  S122  1  0.666717  0.666466  0.610594  1
  S  S123  1  0.742999  0.794004  0.611348  1
  S  S124  1  0.827562  0.921308  0.611441  1
  S  S125  1  0.417532  0.043323  0.611283  1
  S  S126  1  0.500000  0.167853  0.611112  1
  S  S127  1  0.583088  0.292202  0.611004  1
  S  S128  1  0.666427  0.416412  0.610838  1
  S  S129  1  0.749830  0.541339  0.610600  1
  S  S130  1  0.835764  0.667689  0.607619  1
  S  S131  1  0.899989  0.800243  0.614817  1
  S  S132  1  0.000000  0.914457  0.607753  1
  S  S133  1  0.582468  0.043323  0.611283  1
  S  S134  1  0.665813  0.167546  0.611196  1
  S  S135  1  0.749476  0.290775  0.611061  1
  S  S136  1  0.832433  0.413715  0.611134  1
  S  S137  1  0.915146  0.534533  0.611307  1
  S  S138  1  0.000000  0.649439  0.614692  1
  S  S139  1  0.747876  0.043739  0.611293  1
  S  S140  1  0.832951  0.166300  0.610953  1
  S  S141  1  0.916412  0.289746  0.611052  1
  S  S142  1  0.000000  0.412567  0.611393  1
  S  S143  1  0.916621  0.041621  0.610760  1
  S  S144  1  0.000000  0.165778  0.610851  1
