# 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  0.749676  0.500000  1
  W  W2  1  0.090871  0.878952  0.500000  1
  W  W3  1  -0.000000  0.494431  0.499999  1
  W  W4  1  0.083392  0.616788  0.500000  1
  W  W5  1  0.174096  0.753815  0.500000  1
  W  W6  1  0.254463  0.877700  0.500000  1
  W  W7  1  0.000000  0.248001  0.500000  1
  W  W8  1  0.083555  0.371810  0.500000  1
  W  W9  1  0.167297  0.496192  0.500000  1
  W  W10  1  0.249106  0.625332  0.500000  1
  W  W11  1  0.336429  0.751474  0.500000  1
  W  W12  1  0.418113  0.876833  0.499999  1
  W  W13  1  0.000000  -0.001043  0.500000  1
  W  W14  1  0.083670  0.124137  0.500001  1
  W  W15  1  0.167125  0.248619  0.500000  1
  W  W16  1  0.250559  0.373440  0.500000  1
  W  W17  1  0.333205  0.499956  0.500000  1
  W  W18  1  0.416647  0.625520  0.499999  1
  W  W19  1  0.500000  0.751055  0.499999  1
  W  W20  1  0.581887  0.876833  0.500000  1
  W  W21  1  0.169706  0.002031  0.500000  1
  W  W22  1  0.251324  0.125875  0.500000  1
  W  W23  1  0.333883  0.250199  0.500000  1
  W  W24  1  0.416697  0.375450  0.500000  1
  W  W25  1  0.500000  0.500470  0.499999  1
  W  W26  1  0.583353  0.625520  0.499999  1
  W  W27  1  0.663571  0.751474  0.499999  1
  W  W28  1  0.745538  0.877700  0.500000  1
  W  W29  1  0.335307  0.001881  0.499999  1
  W  W30  1  0.417290  0.126353  0.500000  1
  W  W31  1  0.500000  0.250930  0.500000  1
  W  W32  1  0.583302  0.375450  0.500001  1
  W  W33  1  0.666795  0.499956  0.499999  1
  W  W34  1  0.750894  0.625332  0.499999  1
  W  W35  1  0.825904  0.753815  0.500000  1
  W  W36  1  0.909129  0.878952  0.500000  1
  W  W37  1  0.500000  0.001734  0.500000  1
  W  W38  1  0.582710  0.126353  0.500000  1
  W  W39  1  0.666117  0.250199  0.499999  1
  W  W40  1  0.749441  0.373440  0.499999  1
  W  W41  1  0.832703  0.496192  0.499999  1
  W  W42  1  0.916608  0.616788  0.500000  1
  W  W43  1  0.664693  0.001881  0.500000  1
  W  W44  1  0.748676  0.125874  0.500000  1
  W  W45  1  0.832875  0.248619  0.500000  1
  W  W46  1  0.916445  0.371810  0.499999  1
  W  W47  1  0.830294  0.002031  0.500000  1
  W  W48  1  0.916330  0.124137  0.500000  1
  S  S49  1  0.098873  0.799582  0.384998  1
  S  S50  1  0.172085  0.920413  0.388270  1
  S  S51  1  0.084204  0.534991  0.388466  1
  S  S52  1  0.164386  0.667621  0.392574  1
  S  S53  1  0.256085  0.794209  0.388448  1
  S  S54  1  0.336145  0.918989  0.388448  1
  S  S55  1  0.083519  0.289219  0.388998  1
  S  S56  1  0.167076  0.413655  0.389020  1
  S  S57  1  0.249628  0.541406  0.389684  1
  S  S58  1  0.333099  0.667077  0.389658  1
  S  S59  1  0.418249  0.793224  0.388800  1
  S  S60  1  0.500000  0.918624  0.388643  1
  S  S61  1  0.083643  0.041017  0.389457  1
  S  S62  1  0.167032  0.165802  0.389163  1
  S  S63  1  0.250315  0.290631  0.389060  1
  S  S64  1  0.333249  0.416651  0.389366  1
  S  S65  1  0.416491  0.542083  0.389553  1
  S  S66  1  0.500000  0.667248  0.389479  1
  S  S67  1  0.581751  0.793224  0.388800  1
  S  S68  1  0.663855  0.918989  0.388447  1
  S  S69  1  0.252129  0.043328  0.388780  1
  S  S70  1  0.334174  0.167499  0.388888  1
  S  S71  1  0.416797  0.292419  0.389179  1
  S  S72  1  0.500000  0.417239  0.389346  1
  S  S73  1  0.583509  0.542083  0.389554  1
  S  S74  1  0.666901  0.667077  0.389659  1
  S  S75  1  0.743915  0.794209  0.388448  1
  S  S76  1  0.827915  0.920414  0.388270  1
  S  S77  1  0.417545  0.043473  0.388731  1
  S  S78  1  0.500000  0.168036  0.388935  1
  S  S79  1  0.583203  0.292419  0.389179  1
  S  S80  1  0.666752  0.416651  0.389366  1
  S  S81  1  0.750372  0.541406  0.389684  1
  S  S82  1  0.835614  0.667621  0.392574  1
  S  S83  1  0.901127  0.799582  0.384998  1
  S  S84  1  -0.000000  0.914460  0.392370  1
  S  S85  1  0.582455  0.043473  0.388731  1
  S  S86  1  0.665826  0.167499  0.388888  1
  S  S87  1  0.749685  0.290631  0.389061  1
  S  S88  1  0.832924  0.413655  0.389021  1
  S  S89  1  0.915796  0.534991  0.388466  1
  S  S90  1  -0.000000  0.650391  0.385126  1
  S  S91  1  0.747872  0.043328  0.388780  1
  S  S92  1  0.832968  0.165802  0.389163  1
  S  S93  1  0.916481  0.289219  0.388998  1
  S  S94  1  -0.000000  0.412365  0.388654  1
  S  S95  1  0.916357  0.041017  0.389457  1
  S  S96  1  0.000000  0.165090  0.389253  1
  S  S97  1  0.098873  0.799583  0.615002  1
  S  S98  1  0.172085  0.920414  0.611730  1
  S  S99  1  0.084204  0.534991  0.611535  1
  S  S100  1  0.164386  0.667621  0.607427  1
  S  S101  1  0.256085  0.794209  0.611552  1
  S  S102  1  0.336145  0.918989  0.611552  1
  S  S103  1  0.083519  0.289219  0.611002  1
  S  S104  1  0.167076  0.413655  0.610980  1
  S  S105  1  0.249628  0.541406  0.610316  1
  S  S106  1  0.333099  0.667077  0.610342  1
  S  S107  1  0.418249  0.793224  0.611201  1
  S  S108  1  0.500000  0.918624  0.611357  1
  S  S109  1  0.083643  0.041017  0.610543  1
  S  S110  1  0.167032  0.165802  0.610837  1
  S  S111  1  0.250315  0.290631  0.610940  1
  S  S112  1  0.333248  0.416651  0.610634  1
  S  S113  1  0.416491  0.542083  0.610447  1
  S  S114  1  0.500000  0.667248  0.610522  1
  S  S115  1  0.581751  0.793224  0.611201  1
  S  S116  1  0.663855  0.918989  0.611552  1
  S  S117  1  0.252129  0.043327  0.611219  1
  S  S118  1  0.334174  0.167499  0.611112  1
  S  S119  1  0.416797  0.292419  0.610822  1
  S  S120  1  0.500000  0.417239  0.610654  1
  S  S121  1  0.583509  0.542083  0.610447  1
  S  S122  1  0.666901  0.667077  0.610342  1
  S  S123  1  0.743915  0.794209  0.611552  1
  S  S124  1  0.827915  0.920414  0.611730  1
  S  S125  1  0.417545  0.043473  0.611269  1
  S  S126  1  0.500000  0.168035  0.611065  1
  S  S127  1  0.583203  0.292419  0.610822  1
  S  S128  1  0.666751  0.416651  0.610635  1
  S  S129  1  0.750372  0.541406  0.610317  1
  S  S130  1  0.835614  0.667621  0.607427  1
  S  S131  1  0.901127  0.799583  0.615002  1
  S  S132  1  0.000000  0.914460  0.607629  1
  S  S133  1  0.582455  0.043473  0.611268  1
  S  S134  1  0.665826  0.167499  0.611112  1
  S  S135  1  0.749685  0.290631  0.610940  1
  S  S136  1  0.832924  0.413655  0.610980  1
  S  S137  1  0.915796  0.534991  0.611535  1
  S  S138  1  0.000000  0.650391  0.614875  1
  S  S139  1  0.747871  0.043327  0.611218  1
  S  S140  1  0.832968  0.165802  0.610837  1
  S  S141  1  0.916481  0.289219  0.611002  1
  S  S142  1  0.000000  0.412365  0.611347  1
  S  S143  1  0.916357  0.041017  0.610543  1
  S  S144  1  -0.000000  0.165090  0.610747  1
