# 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  0.749623  0.500000  1
  W  W2  1  0.091069  0.878826  0.500001  1
  W  W3  1  -0.000000  0.494237  0.500000  1
  W  W4  1  0.083136  0.616637  0.500000  1
  W  W5  1  0.174089  0.754052  0.500001  1
  W  W6  1  0.254644  0.877763  0.500002  1
  W  W7  1  -0.000000  0.248115  0.500000  1
  W  W8  1  0.083692  0.371824  0.500000  1
  W  W9  1  0.167749  0.495909  0.500000  1
  W  W10  1  0.249325  0.625184  0.500000  1
  W  W11  1  0.336807  0.751208  0.500002  1
  W  W12  1  0.418162  0.876721  0.500002  1
  W  W13  1  -0.000000  -0.000750  0.500000  1
  W  W14  1  0.083617  0.124285  0.500000  1
  W  W15  1  0.167124  0.248745  0.500000  1
  W  W16  1  0.250609  0.373410  0.500000  1
  W  W17  1  0.333301  0.499946  0.500000  1
  W  W18  1  0.416632  0.625367  0.500000  1
  W  W19  1  0.500000  0.751003  0.500001  1
  W  W20  1  0.581838  0.876721  0.500000  1
  W  W21  1  0.169747  0.002550  0.500002  1
  W  W22  1  0.251353  0.125972  0.500001  1
  W  W23  1  0.333955  0.250244  0.500000  1
  W  W24  1  0.416768  0.375395  0.499999  1
  W  W25  1  0.500000  0.500353  0.499999  1
  W  W26  1  0.583368  0.625367  0.499999  1
  W  W27  1  0.663193  0.751208  0.499999  1
  W  W28  1  0.745356  0.877763  0.499999  1
  W  W29  1  0.335267  0.001989  0.500002  1
  W  W30  1  0.417270  0.126344  0.500001  1
  W  W31  1  0.500000  0.250952  0.499999  1
  W  W32  1  0.583232  0.375395  0.499999  1
  W  W33  1  0.666699  0.499945  0.499999  1
  W  W34  1  0.750675  0.625184  0.500000  1
  W  W35  1  0.825911  0.754052  0.500000  1
  W  W36  1  0.908931  0.878826  0.500000  1
  W  W37  1  0.500000  0.001751  0.500001  1
  W  W38  1  0.582730  0.126344  0.500000  1
  W  W39  1  0.666045  0.250244  0.499999  1
  W  W40  1  0.749391  0.373409  0.500000  1
  W  W41  1  0.832251  0.495908  0.500000  1
  W  W42  1  0.916864  0.616637  0.500000  1
  W  W43  1  0.664733  0.001989  0.500000  1
  W  W44  1  0.748647  0.125972  0.499999  1
  W  W45  1  0.832876  0.248745  0.499999  1
  W  W46  1  0.916308  0.371824  0.500000  1
  W  W47  1  0.830253  0.002550  0.499999  1
  W  W48  1  0.916383  0.124284  0.500000  1
  S  S49  1  0.099206  0.799737  0.386045  1
  S  S50  1  0.172314  0.920853  0.388486  1
  S  S51  1  0.084511  0.534570  0.388639  1
  S  S52  1  0.164512  0.667512  0.392498  1
  S  S53  1  0.256597  0.794148  0.388591  1
  S  S54  1  0.336243  0.919028  0.388459  1
  S  S55  1  0.083507  0.289282  0.388926  1
  S  S56  1  0.167263  0.413474  0.388865  1
  S  S57  1  0.249791  0.541338  0.389589  1
  S  S58  1  0.333214  0.666920  0.389549  1
  S  S59  1  0.418414  0.793144  0.388671  1
  S  S60  1  0.500000  0.918616  0.388616  1
  S  S61  1  0.083613  0.041234  0.389386  1
  S  S62  1  0.167019  0.165939  0.389111  1
  S  S63  1  0.250373  0.290638  0.388975  1
  S  S64  1  0.333334  0.416629  0.389313  1
  S  S65  1  0.416593  0.541966  0.389426  1
  S  S66  1  0.500000  0.667105  0.389428  1
  S  S67  1  0.581586  0.793144  0.388672  1
  S  S68  1  0.663757  0.919028  0.388460  1
  S  S69  1  0.252239  0.043578  0.388660  1
  S  S70  1  0.334194  0.167572  0.388832  1
  S  S71  1  0.416840  0.292398  0.389086  1
  S  S72  1  0.500000  0.417182  0.389247  1
  S  S73  1  0.583407  0.541966  0.389427  1
  S  S74  1  0.666786  0.666920  0.389550  1
  S  S75  1  0.743403  0.794148  0.388592  1
  S  S76  1  0.827686  0.920853  0.388487  1
  S  S77  1  0.417570  0.043474  0.388681  1
  S  S78  1  0.500000  0.168038  0.388911  1
  S  S79  1  0.583160  0.292398  0.389086  1
  S  S80  1  0.666666  0.416629  0.389314  1
  S  S81  1  0.750209  0.541338  0.389590  1
  S  S82  1  0.835487  0.667512  0.392498  1
  S  S83  1  0.900795  0.799737  0.386045  1
  S  S84  1  0.000000  0.914665  0.392289  1
  S  S85  1  0.582430  0.043474  0.388682  1
  S  S86  1  0.665806  0.167572  0.388833  1
  S  S87  1  0.749627  0.290638  0.388976  1
  S  S88  1  0.832737  0.413474  0.388866  1
  S  S89  1  0.915489  0.534570  0.388640  1
  S  S90  1  -0.000000  0.649992  0.386171  1
  S  S91  1  0.747761  0.043578  0.388661  1
  S  S92  1  0.832981  0.165939  0.389112  1
  S  S93  1  0.916493  0.289282  0.388926  1
  S  S94  1  -0.000000  0.412264  0.388657  1
  S  S95  1  0.916387  0.041235  0.389387  1
  S  S96  1  -0.000000  0.165275  0.389145  1
  S  S97  1  0.099205  0.799737  0.613955  1
  S  S98  1  0.172314  0.920853  0.611512  1
  S  S99  1  0.084511  0.534570  0.611361  1
  S  S100  1  0.164512  0.667512  0.607502  1
  S  S101  1  0.256597  0.794148  0.611408  1
  S  S102  1  0.336243  0.919028  0.611539  1
  S  S103  1  0.083507  0.289282  0.611074  1
  S  S104  1  0.167263  0.413474  0.611135  1
  S  S105  1  0.249791  0.541338  0.610410  1
  S  S106  1  0.333214  0.666920  0.610450  1
  S  S107  1  0.418414  0.793144  0.611327  1
  S  S108  1  0.500000  0.918616  0.611383  1
  S  S109  1  0.083613  0.041234  0.610613  1
  S  S110  1  0.167019  0.165939  0.610888  1
  S  S111  1  0.250373  0.290638  0.611025  1
  S  S112  1  0.333334  0.416629  0.610687  1
  S  S113  1  0.416593  0.541966  0.610574  1
  S  S114  1  0.500000  0.667105  0.610572  1
  S  S115  1  0.581586  0.793144  0.611328  1
  S  S116  1  0.663757  0.919028  0.611540  1
  S  S117  1  0.252239  0.043578  0.611338  1
  S  S118  1  0.334194  0.167572  0.611167  1
  S  S119  1  0.416840  0.292398  0.610914  1
  S  S120  1  0.500000  0.417182  0.610754  1
  S  S121  1  0.583407  0.541966  0.610575  1
  S  S122  1  0.666786  0.666920  0.610451  1
  S  S123  1  0.743403  0.794148  0.611409  1
  S  S124  1  0.827686  0.920853  0.611513  1
  S  S125  1  0.417570  0.043474  0.611317  1
  S  S126  1  0.500000  0.168038  0.611089  1
  S  S127  1  0.583161  0.292398  0.610914  1
  S  S128  1  0.666666  0.416629  0.610688  1
  S  S129  1  0.750209  0.541338  0.610411  1
  S  S130  1  0.835488  0.667512  0.607502  1
  S  S131  1  0.900794  0.799737  0.613955  1
  S  S132  1  -0.000000  0.914665  0.607710  1
  S  S133  1  0.582430  0.043474  0.611318  1
  S  S134  1  0.665806  0.167572  0.611168  1
  S  S135  1  0.749627  0.290638  0.611025  1
  S  S136  1  0.832738  0.413474  0.611136  1
  S  S137  1  0.915489  0.534570  0.611361  1
  S  S138  1  0.000000  0.649992  0.613829  1
  S  S139  1  0.747761  0.043578  0.611339  1
  S  S140  1  0.832981  0.165939  0.610888  1
  S  S141  1  0.916493  0.289282  0.611074  1
  S  S142  1  0.000000  0.412264  0.611343  1
  S  S143  1  0.916387  0.041234  0.610614  1
  S  S144  1  0.000000  0.165275  0.610855  1
