# 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  0.747618  0.500000  1
  W  W2  1  0.089497  0.879170  0.500000  1
  W  W3  1  -0.000000  0.493861  0.500000  1
  W  W4  1  0.082747  0.615602  0.500000  1
  W  W5  1  0.173590  0.755209  0.500000  1
  W  W6  1  0.254366  0.877710  0.500001  1
  W  W7  1  -0.000000  0.248350  0.500000  1
  W  W8  1  0.083800  0.371853  0.500000  1
  W  W9  1  0.168183  0.495930  0.500000  1
  W  W10  1  0.249139  0.625318  0.500001  1
  W  W11  1  0.336576  0.750976  0.500002  1
  W  W12  1  0.418026  0.876641  0.500004  1
  W  W13  1  -0.000000  0.000060  0.500000  1
  W  W14  1  0.083642  0.124696  0.500000  1
  W  W15  1  0.167241  0.248907  0.500000  1
  W  W16  1  0.250855  0.373431  0.500000  1
  W  W17  1  0.333343  0.499935  0.500000  1
  W  W18  1  0.416540  0.625298  0.500003  1
  W  W19  1  0.500000  0.750790  0.500007  1
  W  W20  1  0.581974  0.876641  0.500007  1
  W  W21  1  0.169441  0.002789  0.500000  1
  W  W22  1  0.251312  0.126024  0.500000  1
  W  W23  1  0.334024  0.250243  0.500000  1
  W  W24  1  0.416823  0.375395  0.500000  1
  W  W25  1  0.500000  0.500296  0.500002  1
  W  W26  1  0.583460  0.625299  0.500006  1
  W  W27  1  0.663424  0.750976  0.500010  1
  W  W28  1  0.745634  0.877710  0.500006  1
  W  W29  1  0.335100  0.001958  0.500001  1
  W  W30  1  0.417269  0.126315  0.500000  1
  W  W31  1  0.500000  0.250934  0.500000  1
  W  W32  1  0.583177  0.375395  0.500000  1
  W  W33  1  0.666657  0.499935  0.500003  1
  W  W34  1  0.750860  0.625318  0.500004  1
  W  W35  1  0.826410  0.755209  0.500003  1
  W  W36  1  0.910503  0.879170  0.500002  1
  W  W37  1  0.500000  0.001661  0.500002  1
  W  W38  1  0.582731  0.126315  0.500000  1
  W  W39  1  0.665976  0.250243  0.500000  1
  W  W40  1  0.749145  0.373431  0.500000  1
  W  W41  1  0.831817  0.495930  0.500001  1
  W  W42  1  0.917253  0.615602  0.500001  1
  W  W43  1  0.664900  0.001958  0.500003  1
  W  W44  1  0.748688  0.126024  0.500000  1
  W  W45  1  0.832759  0.248907  0.500000  1
  W  W46  1  0.916200  0.371853  0.500000  1
  W  W47  1  0.830559  0.002789  0.500002  1
  W  W48  1  0.916358  0.124696  0.500000  1
  S  S49  1  0.098521  0.799667  0.386093  1
  S  S50  1  0.171602  0.920856  0.388924  1
  S  S51  1  0.084722  0.533907  0.388527  1
  S  S52  1  0.163552  0.667759  0.392848  1
  S  S53  1  0.256587  0.794257  0.388467  1
  S  S54  1  0.336035  0.919008  0.388497  1
  S  S55  1  0.083604  0.289384  0.388895  1
  S  S56  1  0.167522  0.413416  0.388894  1
  S  S57  1  0.249921  0.541539  0.389541  1
  S  S58  1  0.333015  0.666852  0.389489  1
  S  S59  1  0.418347  0.792998  0.388791  1
  S  S60  1  0.500000  0.918493  0.388667  1
  S  S61  1  0.083692  0.041795  0.389282  1
  S  S62  1  0.167123  0.166167  0.389061  1
  S  S63  1  0.250539  0.290675  0.388934  1
  S  S64  1  0.333472  0.416629  0.389226  1
  S  S65  1  0.416615  0.541908  0.389396  1
  S  S66  1  0.500000  0.666953  0.389395  1
  S  S67  1  0.581653  0.792998  0.388789  1
  S  S68  1  0.663965  0.919008  0.388494  1
  S  S69  1  0.252113  0.043613  0.388641  1
  S  S70  1  0.334213  0.167556  0.388814  1
  S  S71  1  0.416889  0.292378  0.389050  1
  S  S72  1  0.500000  0.417140  0.389179  1
  S  S73  1  0.583385  0.541907  0.389395  1
  S  S74  1  0.666984  0.666853  0.389487  1
  S  S75  1  0.743414  0.794257  0.388463  1
  S  S76  1  0.828398  0.920856  0.388922  1
  S  S77  1  0.417525  0.043417  0.388732  1
  S  S78  1  0.500000  0.168008  0.388891  1
  S  S79  1  0.583111  0.292378  0.389050  1
  S  S80  1  0.666528  0.416629  0.389225  1
  S  S81  1  0.750079  0.541539  0.389540  1
  S  S82  1  0.836448  0.667759  0.392846  1
  S  S83  1  0.901479  0.799667  0.386092  1
  S  S84  1  -0.000000  0.916026  0.391455  1
  S  S85  1  0.582474  0.043417  0.388732  1
  S  S86  1  0.665787  0.167557  0.388814  1
  S  S87  1  0.749461  0.290675  0.388934  1
  S  S88  1  0.832478  0.413416  0.388894  1
  S  S89  1  0.915278  0.533907  0.388527  1
  S  S90  1  -0.000000  0.648012  0.384612  1
  S  S91  1  0.747887  0.043613  0.388640  1
  S  S92  1  0.832877  0.166167  0.389061  1
  S  S93  1  0.916396  0.289384  0.388895  1
  S  S94  1  -0.000000  0.412031  0.388582  1
  S  S95  1  0.916309  0.041795  0.389282  1
  S  S96  1  0.000000  0.165608  0.389061  1
  S  S97  1  0.098521  0.799667  0.613907  1
  S  S98  1  0.171602  0.920856  0.611076  1
  S  S99  1  0.084722  0.533907  0.611473  1
  S  S100  1  0.163552  0.667759  0.607152  1
  S  S101  1  0.256587  0.794256  0.611532  1
  S  S102  1  0.336035  0.919007  0.611502  1
  S  S103  1  0.083604  0.289384  0.611105  1
  S  S104  1  0.167522  0.413416  0.611106  1
  S  S105  1  0.249921  0.541539  0.610458  1
  S  S106  1  0.333016  0.666853  0.610509  1
  S  S107  1  0.418347  0.792998  0.611205  1
  S  S108  1  0.500000  0.918493  0.611328  1
  S  S109  1  0.083692  0.041795  0.610718  1
  S  S110  1  0.167123  0.166167  0.610939  1
  S  S111  1  0.250539  0.290675  0.611066  1
  S  S112  1  0.333472  0.416629  0.610774  1
  S  S113  1  0.416615  0.541908  0.610602  1
  S  S114  1  0.500000  0.666952  0.610601  1
  S  S115  1  0.581654  0.792998  0.611204  1
  S  S116  1  0.663966  0.919007  0.611501  1
  S  S117  1  0.252113  0.043613  0.611359  1
  S  S118  1  0.334213  0.167556  0.611186  1
  S  S119  1  0.416889  0.292378  0.610950  1
  S  S120  1  0.500000  0.417140  0.610820  1
  S  S121  1  0.583385  0.541908  0.610601  1
  S  S122  1  0.666984  0.666853  0.610507  1
  S  S123  1  0.743413  0.794256  0.611529  1
  S  S124  1  0.828397  0.920856  0.611074  1
  S  S125  1  0.417525  0.043416  0.611267  1
  S  S126  1  0.500000  0.168008  0.611109  1
  S  S127  1  0.583111  0.292378  0.610950  1
  S  S128  1  0.666528  0.416629  0.610773  1
  S  S129  1  0.750079  0.541539  0.610458  1
  S  S130  1  0.836447  0.667759  0.607151  1
  S  S131  1  0.901479  0.799667  0.613906  1
  S  S132  1  -0.000000  0.916026  0.608545  1
  S  S133  1  0.582475  0.043416  0.611266  1
  S  S134  1  0.665787  0.167556  0.611186  1
  S  S135  1  0.749461  0.290675  0.611066  1
  S  S136  1  0.832478  0.413416  0.611105  1
  S  S137  1  0.915278  0.533907  0.611472  1
  S  S138  1  -0.000000  0.648011  0.615388  1
  S  S139  1  0.747887  0.043612  0.611358  1
  S  S140  1  0.832877  0.166167  0.610939  1
  S  S141  1  0.916396  0.289384  0.611105  1
  S  S142  1  -0.000000  0.412031  0.611418  1
  S  S143  1  0.916308  0.041795  0.610717  1
  S  S144  1  -0.000000  0.165608  0.610939  1
