# 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  0.083329  0.795219  0.275115  1
  W  W2  1  0.005575  0.749567  0.508127  1
  W  W3  1  0.083334  0.874488  0.511690  1
  W  W4  1  0.000046  0.500168  0.501368  1
  W  W5  1  0.083333  0.625338  0.504920  1
  W  W6  1  0.161089  0.749570  0.508123  1
  W  W7  1  0.248154  0.874640  0.504347  1
  W  W8  1  -0.000014  0.249978  0.499614  1
  W  W9  1  0.083333  0.375017  0.500290  1
  W  W10  1  0.166619  0.500168  0.501366  1
  W  W11  1  0.249153  0.625646  0.501353  1
  W  W12  1  0.331693  0.750000  0.501024  1
  W  W13  1  0.416023  0.874715  0.500420  1
  W  W14  1  0.000345  -0.000379  0.502534  1
  W  W15  1  0.083334  0.124970  0.500347  1
  W  W16  1  0.166681  0.249978  0.499614  1
  W  W17  1  0.249987  0.375044  0.499866  1
  W  W18  1  0.333032  0.500327  0.499834  1
  W  W19  1  0.416240  0.625259  0.499408  1
  W  W20  1  0.499435  0.750136  0.499156  1
  W  W21  1  0.583334  0.874823  0.499499  1
  W  W22  1  0.166324  -0.000380  0.502534  1
  W  W23  1  0.249920  0.124763  0.499951  1
  W  W24  1  0.333345  0.249949  0.499354  1
  W  W25  1  0.416638  0.375146  0.499316  1
  W  W26  1  0.499904  0.500284  0.499130  1
  W  W27  1  0.583333  0.625294  0.498851  1
  W  W28  1  0.667231  0.750135  0.499157  1
  W  W29  1  0.750643  0.874715  0.500421  1
  W  W30  1  0.332890  -0.000340  0.500914  1
  W  W31  1  0.416599  0.124768  0.499592  1
  W  W32  1  0.500016  0.249944  0.499185  1
  W  W33  1  0.583333  0.375165  0.499111  1
  W  W34  1  0.666761  0.500283  0.499131  1
  W  W35  1  0.750426  0.625258  0.499409  1
  W  W36  1  0.834974  0.749999  0.501025  1
  W  W37  1  0.918512  0.874640  0.504348  1
  W  W38  1  0.499845  -0.000311  0.499871  1
  W  W39  1  0.583334  0.124762  0.499447  1
  W  W40  1  0.666651  0.249944  0.499185  1
  W  W41  1  0.750028  0.375146  0.499318  1
  W  W42  1  0.833633  0.500326  0.499835  1
  W  W43  1  0.917514  0.625646  0.501355  1
  W  W44  1  0.666823  -0.000312  0.499871  1
  W  W45  1  0.750069  0.124768  0.499591  1
  W  W46  1  0.833322  0.249949  0.499354  1
  W  W47  1  0.916680  0.375044  0.499867  1
  W  W48  1  0.833777  -0.000340  0.500914  1
  W  W49  1  0.916747  0.124764  0.499951  1
  S  S50  1  0.163684  0.913586  0.394660  1
  S  S51  1  0.083332  0.542773  0.392012  1
  S  S52  1  0.163117  0.669158  0.393026  1
  S  S53  1  0.243290  0.791341  0.394316  1
  S  S54  1  0.331166  0.915687  0.391508  1
  S  S55  1  0.083334  0.291834  0.389039  1
  S  S56  1  0.166493  0.417158  0.389848  1
  S  S57  1  0.249052  0.542525  0.390129  1
  S  S58  1  0.331937  0.667172  0.389749  1
  S  S59  1  0.414788  0.791692  0.389394  1
  S  S60  1  0.499382  0.916315  0.389268  1
  S  S61  1  0.083336  0.040867  0.391053  1
  S  S62  1  0.166592  0.166373  0.389183  1
  S  S63  1  0.249925  0.291763  0.388844  1
  S  S64  1  0.333026  0.416980  0.389010  1
  S  S65  1  0.416142  0.541938  0.388734  1
  S  S66  1  0.499526  0.666934  0.388407  1
  S  S67  1  0.583334  0.791667  0.388633  1
  S  S68  1  0.667286  0.916315  0.389268  1
  S  S69  1  0.249183  0.040631  0.390300  1
  S  S70  1  0.333162  0.166325  0.388916  1
  S  S71  1  0.416616  0.291705  0.388582  1
  S  S72  1  0.499882  0.416874  0.388491  1
  S  S73  1  0.583333  0.541899  0.388318  1
  S  S74  1  0.667141  0.666933  0.388407  1
  S  S75  1  0.751879  0.791691  0.389395  1
  S  S76  1  0.835501  0.915686  0.391509  1
  S  S77  1  0.416067  0.041037  0.389479  1
  S  S78  1  0.499933  0.166365  0.388708  1
  S  S79  1  0.583333  0.291698  0.388455  1
  S  S80  1  0.666784  0.416873  0.388491  1
  S  S81  1  0.750524  0.541937  0.388735  1
  S  S82  1  0.834729  0.667171  0.389751  1
  S  S83  1  0.923377  0.791340  0.394317  1
  S  S84  1  0.002982  0.913587  0.394662  1
  S  S85  1  0.583334  0.041200  0.389068  1
  S  S86  1  0.666735  0.166365  0.388707  1
  S  S87  1  0.750051  0.291706  0.388582  1
  S  S88  1  0.833641  0.416978  0.389010  1
  S  S89  1  0.917614  0.542525  0.390131  1
  S  S90  1  0.003549  0.669157  0.393027  1
  S  S91  1  0.750601  0.041036  0.389480  1
  S  S92  1  0.833506  0.166325  0.388916  1
  S  S93  1  0.916742  0.291763  0.388844  1
  S  S94  1  0.000173  0.417159  0.389849  1
  S  S95  1  0.917484  0.040631  0.390299  1
  S  S96  1  0.000076  0.166373  0.389184  1
  S  S97  1  0.083333  0.792316  0.622293  1
  S  S98  1  0.167464  0.917945  0.617122  1
  S  S99  1  0.083333  0.540684  0.613399  1
  S  S100  1  0.167435  0.666549  0.615941  1
  S  S101  1  0.249088  0.790870  0.614424  1
  S  S102  1  0.333558  0.916532  0.612234  1
  S  S103  1  0.083334  0.291462  0.610509  1
  S  S104  1  0.166842  0.416303  0.611196  1
  S  S105  1  0.250309  0.541863  0.611484  1
  S  S106  1  0.333383  0.666779  0.610916  1
  S  S107  1  0.416154  0.791287  0.610686  1
  S  S108  1  0.500035  0.916323  0.610502  1
  S  S109  1  0.083335  0.042343  0.612318  1
  S  S110  1  0.166795  0.166823  0.610603  1
  S  S111  1  0.250130  0.291546  0.610277  1
  S  S112  1  0.333464  0.416763  0.610323  1
  S  S113  1  0.416710  0.541936  0.610102  1
  S  S114  1  0.499951  0.666843  0.609681  1
  S  S115  1  0.583333  0.791404  0.609745  1
  S  S116  1  0.666632  0.916322  0.610503  1
  S  S117  1  0.250146  0.042039  0.611742  1
  S  S118  1  0.333434  0.166696  0.610247  1
  S  S119  1  0.416776  0.291695  0.609935  1
  S  S120  1  0.500056  0.416919  0.609861  1
  S  S121  1  0.583333  0.542043  0.609684  1
  S  S122  1  0.666715  0.666843  0.609682  1
  S  S123  1  0.750512  0.791286  0.610686  1
  S  S124  1  0.833109  0.916532  0.612235  1
  S  S125  1  0.416758  0.041597  0.610741  1
  S  S126  1  0.500045  0.166607  0.610057  1
  S  S127  1  0.583333  0.291755  0.609810  1
  S  S128  1  0.666609  0.416918  0.609862  1
  S  S129  1  0.749954  0.541935  0.610103  1
  S  S130  1  0.833282  0.666778  0.610917  1
  S  S131  1  0.917576  0.790871  0.614426  1
  S  S132  1  -0.000798  0.917945  0.617121  1
  S  S133  1  0.583334  0.041472  0.610383  1
  S  S134  1  0.666623  0.166607  0.610056  1
  S  S135  1  0.749891  0.291695  0.609936  1
  S  S136  1  0.833203  0.416762  0.610324  1
  S  S137  1  0.916355  0.541864  0.611486  1
  S  S138  1  -0.000768  0.666546  0.615945  1
  S  S139  1  0.749909  0.041598  0.610741  1
  S  S140  1  0.833233  0.166697  0.610247  1
  S  S141  1  0.916537  0.291546  0.610277  1
  S  S142  1  -0.000176  0.416303  0.611197  1
  S  S143  1  0.916522  0.042040  0.611743  1
  S  S144  1  -0.000127  0.166823  0.610603  1
