# 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  0.748650  0.500000  1
  W  W2  1  0.091003  0.879159  0.500000  1
  W  W3  1  -0.000000  0.494232  0.500000  1
  W  W4  1  0.082663  0.615238  0.500001  1
  W  W5  1  0.174443  0.755279  0.500000  1
  W  W6  1  0.254565  0.877653  0.500000  1
  W  W7  1  -0.000000  0.248702  0.499999  1
  W  W8  1  0.083829  0.372190  0.499999  1
  W  W9  1  0.168415  0.496373  0.500000  1
  W  W10  1  0.249254  0.625247  0.500001  1
  W  W11  1  0.336609  0.750372  0.500001  1
  W  W12  1  0.418077  0.876378  0.500001  1
  W  W13  1  -0.000000  -0.000135  0.500000  1
  W  W14  1  0.083596  0.124795  0.499999  1
  W  W15  1  0.167120  0.249121  0.499999  1
  W  W16  1  0.250937  0.373613  0.500000  1
  W  W17  1  0.333398  0.499770  0.500001  1
  W  W18  1  0.416638  0.625008  0.500002  1
  W  W19  1  0.500000  0.750255  0.500003  1
  W  W20  1  0.581923  0.876378  0.500003  1
  W  W21  1  0.169039  0.002966  0.499999  1
  W  W22  1  0.251119  0.126217  0.499999  1
  W  W23  1  0.333982  0.250314  0.499999  1
  W  W24  1  0.416843  0.375338  0.500001  1
  W  W25  1  0.500000  0.500072  0.500002  1
  W  W26  1  0.583362  0.625008  0.500003  1
  W  W27  1  0.663391  0.750372  0.500004  1
  W  W28  1  0.745435  0.877653  0.500004  1
  W  W29  1  0.335053  0.001908  0.499999  1
  W  W30  1  0.417206  0.126290  0.500000  1
  W  W31  1  0.500000  0.250919  0.500000  1
  W  W32  1  0.583157  0.375338  0.500002  1
  W  W33  1  0.666602  0.499770  0.500002  1
  W  W34  1  0.750746  0.625248  0.500002  1
  W  W35  1  0.825556  0.755279  0.500002  1
  W  W36  1  0.908997  0.879159  0.500002  1
  W  W37  1  0.500000  0.001505  0.500001  1
  W  W38  1  0.582794  0.126290  0.500001  1
  W  W39  1  0.666018  0.250314  0.500001  1
  W  W40  1  0.749063  0.373613  0.500002  1
  W  W41  1  0.831585  0.496373  0.500001  1
  W  W42  1  0.917337  0.615238  0.500001  1
  W  W43  1  0.664947  0.001908  0.500003  1
  W  W44  1  0.748881  0.126217  0.500002  1
  W  W45  1  0.832880  0.249121  0.500000  1
  W  W46  1  0.916171  0.372190  0.500000  1
  W  W47  1  0.830961  0.002966  0.500003  1
  W  W48  1  0.916404  0.124795  0.500000  1
  S  S49  1  0.099938  0.800100  0.385316  1
  S  S50  1  0.172182  0.921232  0.388696  1
  S  S51  1  0.084888  0.533871  0.388365  1
  S  S52  1  0.163247  0.667721  0.392624  1
  S  S53  1  0.257188  0.794114  0.388406  1
  S  S54  1  0.336219  0.918952  0.388482  1
  S  S55  1  0.083587  0.289700  0.388829  1
  S  S56  1  0.167635  0.413670  0.388916  1
  S  S57  1  0.250169  0.541598  0.389407  1
  S  S58  1  0.333123  0.666461  0.389313  1
  S  S59  1  0.418436  0.792635  0.388843  1
  S  S60  1  0.500000  0.918309  0.388646  1
  S  S61  1  0.083394  0.041816  0.389157  1
  S  S62  1  0.166985  0.166367  0.388965  1
  S  S63  1  0.250500  0.290810  0.388927  1
  S  S64  1  0.333566  0.416535  0.389070  1
  S  S65  1  0.416680  0.541633  0.389302  1
  S  S66  1  0.500000  0.666586  0.389171  1
  S  S67  1  0.581564  0.792635  0.388842  1
  S  S68  1  0.663781  0.918952  0.388480  1
  S  S69  1  0.252017  0.043776  0.388733  1
  S  S70  1  0.334144  0.167619  0.388804  1
  S  S71  1  0.416898  0.292329  0.388989  1
  S  S72  1  0.500000  0.416989  0.389059  1
  S  S73  1  0.583320  0.541633  0.389302  1
  S  S74  1  0.666877  0.666461  0.389312  1
  S  S75  1  0.742813  0.794115  0.388404  1
  S  S76  1  0.827818  0.921232  0.388694  1
  S  S77  1  0.417515  0.043374  0.388737  1
  S  S78  1  0.500000  0.167979  0.388877  1
  S  S79  1  0.583102  0.292329  0.388988  1
  S  S80  1  0.666433  0.416535  0.389069  1
  S  S81  1  0.749831  0.541598  0.389407  1
  S  S82  1  0.836754  0.667721  0.392623  1
  S  S83  1  0.900062  0.800100  0.385315  1
  S  S84  1  0.000000  0.915066  0.391787  1
  S  S85  1  0.582485  0.043374  0.388736  1
  S  S86  1  0.665856  0.167619  0.388803  1
  S  S87  1  0.749500  0.290810  0.388926  1
  S  S88  1  0.832365  0.413670  0.388915  1
  S  S89  1  0.915112  0.533871  0.388365  1
  S  S90  1  0.000000  0.647933  0.384612  1
  S  S91  1  0.747983  0.043776  0.388731  1
  S  S92  1  0.833016  0.166367  0.388964  1
  S  S93  1  0.916413  0.289700  0.388828  1
  S  S94  1  0.000000  0.412323  0.388583  1
  S  S95  1  0.916606  0.041815  0.389157  1
  S  S96  1  0.000000  0.165874  0.389083  1
  S  S97  1  0.099938  0.800100  0.614684  1
  S  S98  1  0.172182  0.921232  0.611305  1
  S  S99  1  0.084888  0.533871  0.611635  1
  S  S100  1  0.163247  0.667721  0.607376  1
  S  S101  1  0.257188  0.794114  0.611594  1
  S  S102  1  0.336219  0.918952  0.611518  1
  S  S103  1  0.083587  0.289700  0.611172  1
  S  S104  1  0.167635  0.413670  0.611084  1
  S  S105  1  0.250169  0.541598  0.610592  1
  S  S106  1  0.333123  0.666461  0.610686  1
  S  S107  1  0.418436  0.792635  0.611156  1
  S  S108  1  0.500000  0.918309  0.611352  1
  S  S109  1  0.083394  0.041816  0.610844  1
  S  S110  1  0.166984  0.166367  0.611036  1
  S  S111  1  0.250500  0.290810  0.611074  1
  S  S112  1  0.333567  0.416535  0.610930  1
  S  S113  1  0.416680  0.541633  0.610696  1
  S  S114  1  0.500001  0.666585  0.610827  1
  S  S115  1  0.581564  0.792635  0.611155  1
  S  S116  1  0.663781  0.918952  0.611516  1
  S  S117  1  0.252017  0.043776  0.611268  1
  S  S118  1  0.334144  0.167619  0.611197  1
  S  S119  1  0.416898  0.292329  0.611011  1
  S  S120  1  0.500000  0.416989  0.610940  1
  S  S121  1  0.583320  0.541634  0.610695  1
  S  S122  1  0.666877  0.666461  0.610685  1
  S  S123  1  0.742812  0.794115  0.611592  1
  S  S124  1  0.827818  0.921232  0.611303  1
  S  S125  1  0.417515  0.043374  0.611263  1
  S  S126  1  0.500000  0.167979  0.611123  1
  S  S127  1  0.583102  0.292329  0.611010  1
  S  S128  1  0.666433  0.416534  0.610929  1
  S  S129  1  0.749831  0.541598  0.610590  1
  S  S130  1  0.836753  0.667721  0.607375  1
  S  S131  1  0.900061  0.800100  0.614685  1
  S  S132  1  -0.000000  0.915066  0.608213  1
  S  S133  1  0.582485  0.043374  0.611262  1
  S  S134  1  0.665856  0.167619  0.611196  1
  S  S135  1  0.749500  0.290810  0.611073  1
  S  S136  1  0.832364  0.413671  0.611084  1
  S  S137  1  0.915111  0.533871  0.611634  1
  S  S138  1  0.000000  0.647933  0.615388  1
  S  S139  1  0.747983  0.043776  0.611266  1
  S  S140  1  0.833015  0.166367  0.611035  1
  S  S141  1  0.916413  0.289700  0.611172  1
  S  S142  1  -0.000000  0.412323  0.611417  1
  S  S143  1  0.916606  0.041816  0.610843  1
  S  S144  1  -0.000000  0.165874  0.610918  1
