# 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  0.083335  0.791684  0.265419  1
  W  W2  1  0.003419  0.751742  0.508957  1
  W  W3  1  0.083333  0.871613  0.508954  1
  W  W4  1  0.000088  0.500768  0.500895  1
  W  W5  1  0.083333  0.626789  0.504462  1
  W  W6  1  0.163248  0.751742  0.508957  1
  W  W7  1  0.248300  0.874126  0.504402  1
  W  W8  1  0.000084  0.250104  0.499537  1
  W  W9  1  0.083333  0.375440  0.499983  1
  W  W10  1  0.166579  0.500767  0.500895  1
  W  W11  1  0.249471  0.625985  0.501413  1
  W  W12  1  0.332212  0.749923  0.501330  1
  W  W13  1  0.416084  0.874619  0.500691  1
  W  W14  1  0.000672  -0.000830  0.501409  1
  W  W15  1  0.083333  0.124828  0.499882  1
  W  W16  1  0.166582  0.250104  0.499537  1
  W  W17  1  0.249859  0.375331  0.499751  1
  W  W18  1  0.333055  0.500461  0.499856  1
  W  W19  1  0.416431  0.625146  0.499805  1
  W  W20  1  0.499668  0.749898  0.499574  1
  W  W21  1  0.583333  0.874728  0.499701  1
  W  W22  1  0.165995  -0.000830  0.501409  1
  W  W23  1  0.249675  0.124652  0.499834  1
  W  W24  1  0.333125  0.249972  0.499584  1
  W  W25  1  0.416514  0.375133  0.499656  1
  W  W26  1  0.499911  0.500115  0.499558  1
  W  W27  1  0.583333  0.625032  0.499361  1
  W  W28  1  0.666998  0.749898  0.499574  1
  W  W29  1  0.750583  0.874619  0.500691  1
  W  W30  1  0.332713  -0.000452  0.500839  1
  W  W31  1  0.416410  0.124728  0.499803  1
  W  W32  1  0.499894  0.249897  0.499727  1
  W  W33  1  0.583333  0.375022  0.499735  1
  W  W34  1  0.666756  0.500115  0.499558  1
  W  W35  1  0.750236  0.625146  0.499805  1
  W  W36  1  0.834455  0.749923  0.501330  1
  W  W37  1  0.918366  0.874126  0.504402  1
  W  W38  1  0.499779  -0.000354  0.499936  1
  W  W39  1  0.583333  0.124743  0.499688  1
  W  W40  1  0.666773  0.249897  0.499727  1
  W  W41  1  0.750152  0.375133  0.499656  1
  W  W42  1  0.833611  0.500461  0.499856  1
  W  W43  1  0.917195  0.625985  0.501413  1
  W  W44  1  0.666887  -0.000354  0.499936  1
  W  W45  1  0.750257  0.124728  0.499803  1
  W  W46  1  0.833542  0.249972  0.499584  1
  W  W47  1  0.916808  0.375331  0.499751  1
  W  W48  1  0.833954  -0.000452  0.500840  1
  W  W49  1  0.916991  0.124652  0.499834  1
  S  S50  1  0.164102  0.912743  0.394065  1
  S  S51  1  0.083333  0.543837  0.391633  1
  S  S52  1  0.163983  0.670604  0.394065  1
  S  S53  1  0.244777  0.791721  0.394054  1
  S  S54  1  0.331277  0.915581  0.391536  1
  S  S55  1  0.083333  0.292071  0.388930  1
  S  S56  1  0.166494  0.417573  0.389517  1
  S  S57  1  0.249269  0.542861  0.389962  1
  S  S58  1  0.332405  0.667127  0.389939  1
  S  S59  1  0.415281  0.791556  0.389758  1
  S  S60  1  0.499368  0.916238  0.389406  1
  S  S61  1  0.083333  0.040802  0.390018  1
  S  S62  1  0.166556  0.166472  0.388964  1
  S  S63  1  0.249885  0.291899  0.388874  1
  S  S64  1  0.333120  0.417067  0.389040  1
  S  S65  1  0.416368  0.541886  0.388939  1
  S  S66  1  0.499699  0.666686  0.388726  1
  S  S67  1  0.583333  0.791508  0.388854  1
  S  S68  1  0.667299  0.916238  0.389406  1
  S  S69  1  0.249219  0.040578  0.389964  1
  S  S70  1  0.333033  0.166366  0.389052  1
  S  S71  1  0.416552  0.291667  0.388975  1
  S  S72  1  0.499940  0.416680  0.388952  1
  S  S73  1  0.583333  0.541660  0.388719  1
  S  S74  1  0.666968  0.666686  0.388726  1
  S  S75  1  0.751386  0.791556  0.389758  1
  S  S76  1  0.835389  0.915581  0.391536  1
  S  S77  1  0.416001  0.041066  0.389544  1
  S  S78  1  0.499838  0.166419  0.389068  1
  S  S79  1  0.583333  0.291575  0.389090  1
  S  S80  1  0.666726  0.416680  0.388953  1
  S  S81  1  0.750298  0.541886  0.388939  1
  S  S82  1  0.834261  0.667127  0.389939  1
  S  S83  1  0.921890  0.791721  0.394054  1
  S  S84  1  0.002565  0.912743  0.394065  1
  S  S85  1  0.583333  0.041237  0.389167  1
  S  S86  1  0.666828  0.166419  0.389068  1
  S  S87  1  0.750114  0.291667  0.388975  1
  S  S88  1  0.833546  0.417067  0.389040  1
  S  S89  1  0.917398  0.542861  0.389962  1
  S  S90  1  0.002684  0.670604  0.394065  1
  S  S91  1  0.750666  0.041066  0.389544  1
  S  S92  1  0.833634  0.166366  0.389052  1
  S  S93  1  0.916782  0.291899  0.388874  1
  S  S94  1  0.000172  0.417573  0.389517  1
  S  S95  1  0.917448  0.040578  0.389964  1
  S  S96  1  0.000111  0.166472  0.388964  1
  S  S97  1  0.083333  0.791706  0.622877  1
  S  S98  1  0.165711  0.917052  0.615599  1
  S  S99  1  0.083333  0.541731  0.612576  1
  S  S100  1  0.167523  0.667274  0.615634  1
  S  S101  1  0.249935  0.790737  0.615561  1
  S  S102  1  0.333455  0.916581  0.612414  1
  S  S103  1  0.083333  0.291805  0.610335  1
  S  S104  1  0.166704  0.416865  0.610871  1
  S  S105  1  0.250193  0.542076  0.611339  1
  S  S106  1  0.333590  0.666593  0.611415  1
  S  S107  1  0.416619  0.791269  0.611074  1
  S  S108  1  0.500053  0.916364  0.610695  1
  S  S109  1  0.083333  0.041928  0.611459  1
  S  S110  1  0.166580  0.166777  0.610415  1
  S  S111  1  0.249877  0.291787  0.610285  1
  S  S112  1  0.333243  0.416910  0.610423  1
  S  S113  1  0.416675  0.541785  0.610463  1
  S  S114  1  0.500057  0.666617  0.610266  1
  S  S115  1  0.583333  0.791382  0.610167  1
  S  S116  1  0.666614  0.916365  0.610695  1
  S  S117  1  0.249575  0.041651  0.611283  1
  S  S118  1  0.333082  0.166583  0.610371  1
  S  S119  1  0.416482  0.291668  0.610329  1
  S  S120  1  0.499922  0.416751  0.610373  1
  S  S121  1  0.583333  0.541751  0.610222  1
  S  S122  1  0.666610  0.666617  0.610266  1
  S  S123  1  0.750048  0.791269  0.611074  1
  S  S124  1  0.833212  0.916581  0.612414  1
  S  S125  1  0.416576  0.041510  0.610801  1
  S  S126  1  0.499913  0.166477  0.610382  1
  S  S127  1  0.583333  0.291584  0.610425  1
  S  S128  1  0.666745  0.416751  0.610373  1
  S  S129  1  0.749991  0.541785  0.610463  1
  S  S130  1  0.833077  0.666593  0.611415  1
  S  S131  1  0.916731  0.790737  0.615562  1
  S  S132  1  0.000955  0.917052  0.615599  1
  S  S133  1  0.583333  0.041410  0.610438  1
  S  S134  1  0.666754  0.166477  0.610382  1
  S  S135  1  0.750185  0.291668  0.610329  1
  S  S136  1  0.833424  0.416910  0.610423  1
  S  S137  1  0.916473  0.542076  0.611339  1
  S  S138  1  -0.000856  0.667274  0.615634  1
  S  S139  1  0.750091  0.041510  0.610801  1
  S  S140  1  0.833585  0.166583  0.610371  1
  S  S141  1  0.916789  0.291787  0.610285  1
  S  S142  1  -0.000037  0.416865  0.610871  1
  S  S143  1  0.917091  0.041651  0.611283  1
  S  S144  1  0.000086  0.166777  0.610415  1
