# 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  0.749677  0.500000  1
  W  W2  1  0.090730  0.879091  0.500000  1
  W  W3  1  -0.000000  0.494600  0.500000  1
  W  W4  1  0.083679  0.616879  0.500000  1
  W  W5  1  0.174170  0.753564  0.500000  1
  W  W6  1  0.254328  0.877611  0.500001  1
  W  W7  1  -0.000000  0.247943  0.500000  1
  W  W8  1  0.083308  0.371862  0.500000  1
  W  W9  1  0.166879  0.496530  0.500000  1
  W  W10  1  0.248886  0.625476  0.500000  1
  W  W11  1  0.336042  0.751677  0.500000  1
  W  W12  1  0.418020  0.876913  0.500000  1
  W  W13  1  0.000000  -0.001352  0.500000  1
  W  W14  1  0.083749  0.124048  0.500000  1
  W  W15  1  0.167108  0.248507  0.500000  1
  W  W16  1  0.250591  0.373507  0.499999  1
  W  W17  1  0.333105  0.499957  0.499999  1
  W  W18  1  0.416704  0.625693  0.499999  1
  W  W19  1  0.500000  0.751007  0.499999  1
  W  W20  1  0.581980  0.876913  0.499999  1
  W  W21  1  0.169586  0.001532  0.500000  1
  W  W22  1  0.251229  0.125858  0.500000  1
  W  W23  1  0.333789  0.250153  0.500000  1
  W  W24  1  0.416576  0.375591  0.499998  1
  W  W25  1  0.500000  0.500617  0.499999  1
  W  W26  1  0.583296  0.625693  0.499999  1
  W  W27  1  0.663958  0.751677  0.499998  1
  W  W28  1  0.745672  0.877611  0.499998  1
  W  W29  1  0.335388  0.001659  0.500001  1
  W  W30  1  0.417317  0.126343  0.500000  1
  W  W31  1  0.500000  0.250850  0.499999  1
  W  W32  1  0.583424  0.375591  0.499999  1
  W  W33  1  0.666895  0.499957  0.500000  1
  W  W34  1  0.751114  0.625476  0.500000  1
  W  W35  1  0.825830  0.753564  0.499999  1
  W  W36  1  0.909270  0.879091  0.499999  1
  W  W37  1  0.500000  0.001645  0.500000  1
  W  W38  1  0.582683  0.126343  0.500000  1
  W  W39  1  0.666211  0.250153  0.500000  1
  W  W40  1  0.749409  0.373507  0.500000  1
  W  W41  1  0.833121  0.496530  0.500000  1
  W  W42  1  0.916321  0.616879  0.500000  1
  W  W43  1  0.664612  0.001659  0.499999  1
  W  W44  1  0.748771  0.125858  0.500000  1
  W  W45  1  0.832892  0.248507  0.500000  1
  W  W46  1  0.916692  0.371862  0.500000  1
  W  W47  1  0.830414  0.001532  0.500000  1
  W  W48  1  0.916251  0.124048  0.500001  1
  S  S49  1  0.098646  0.799468  0.384132  1
  S  S50  1  0.171948  0.920014  0.388047  1
  S  S51  1  0.083911  0.535345  0.388287  1
  S  S52  1  0.164250  0.667712  0.392618  1
  S  S53  1  0.255656  0.794255  0.388293  1
  S  S54  1  0.336053  0.918893  0.388368  1
  S  S55  1  0.083520  0.289211  0.389073  1
  S  S56  1  0.166902  0.413850  0.389222  1
  S  S57  1  0.249513  0.541499  0.389740  1
  S  S58  1  0.333012  0.667179  0.389735  1
  S  S59  1  0.418084  0.793256  0.388957  1
  S  S60  1  0.500000  0.918576  0.388647  1
  S  S61  1  0.083611  0.040844  0.389523  1
  S  S62  1  0.167018  0.165712  0.389167  1
  S  S63  1  0.250240  0.290656  0.389166  1
  S  S64  1  0.333166  0.416710  0.389372  1
  S  S65  1  0.416401  0.542215  0.389682  1
  S  S66  1  0.500000  0.667368  0.389431  1
  S  S67  1  0.581916  0.793256  0.388958  1
  S  S68  1  0.663947  0.918893  0.388369  1
  S  S69  1  0.252020  0.043077  0.388983  1
  S  S70  1  0.334133  0.167432  0.388981  1
  S  S71  1  0.416749  0.292462  0.389333  1
  S  S72  1  0.500000  0.417331  0.389465  1
  S  S73  1  0.583599  0.542215  0.389682  1
  S  S74  1  0.666989  0.667179  0.389734  1
  S  S75  1  0.744344  0.794255  0.388294  1
  S  S76  1  0.828052  0.920014  0.388048  1
  S  S77  1  0.417524  0.043427  0.388795  1
  S  S78  1  0.500000  0.167999  0.388968  1
  S  S79  1  0.583251  0.292462  0.389332  1
  S  S80  1  0.666834  0.416710  0.389372  1
  S  S81  1  0.750487  0.541499  0.389741  1
  S  S82  1  0.835750  0.667712  0.392618  1
  S  S83  1  0.901354  0.799468  0.384132  1
  S  S84  1  -0.000000  0.914222  0.392462  1
  S  S85  1  0.582476  0.043427  0.388796  1
  S  S86  1  0.665867  0.167432  0.388981  1
  S  S87  1  0.749760  0.290656  0.389166  1
  S  S88  1  0.833098  0.413850  0.389222  1
  S  S89  1  0.916089  0.535345  0.388287  1
  S  S90  1  -0.000000  0.650667  0.384257  1
  S  S91  1  0.747980  0.043076  0.388983  1
  S  S92  1  0.832982  0.165712  0.389167  1
  S  S93  1  0.916480  0.289211  0.389073  1
  S  S94  1  -0.000000  0.412515  0.388542  1
  S  S95  1  0.916389  0.040844  0.389524  1
  S  S96  1  -0.000000  0.164960  0.389372  1
  S  S97  1  0.098646  0.799468  0.615868  1
  S  S98  1  0.171948  0.920014  0.611952  1
  S  S99  1  0.083911  0.535345  0.611714  1
  S  S100  1  0.164250  0.667712  0.607382  1
  S  S101  1  0.255656  0.794255  0.611706  1
  S  S102  1  0.336053  0.918893  0.611631  1
  S  S103  1  0.083520  0.289211  0.610927  1
  S  S104  1  0.166901  0.413850  0.610778  1
  S  S105  1  0.249513  0.541499  0.610260  1
  S  S106  1  0.333012  0.667179  0.610265  1
  S  S107  1  0.418084  0.793256  0.611043  1
  S  S108  1  0.500000  0.918576  0.611353  1
  S  S109  1  0.083611  0.040844  0.610476  1
  S  S110  1  0.167018  0.165712  0.610833  1
  S  S111  1  0.250240  0.290656  0.610834  1
  S  S112  1  0.333165  0.416710  0.610629  1
  S  S113  1  0.416401  0.542215  0.610320  1
  S  S114  1  0.500000  0.667368  0.610570  1
  S  S115  1  0.581916  0.793256  0.611043  1
  S  S116  1  0.663947  0.918893  0.611632  1
  S  S117  1  0.252020  0.043076  0.611017  1
  S  S118  1  0.334133  0.167432  0.611019  1
  S  S119  1  0.416749  0.292462  0.610668  1
  S  S120  1  0.500000  0.417330  0.610534  1
  S  S121  1  0.583599  0.542215  0.610320  1
  S  S122  1  0.666989  0.667179  0.610265  1
  S  S123  1  0.744344  0.794255  0.611707  1
  S  S124  1  0.828052  0.920014  0.611953  1
  S  S125  1  0.417524  0.043427  0.611204  1
  S  S126  1  0.500000  0.167999  0.611032  1
  S  S127  1  0.583251  0.292462  0.610668  1
  S  S128  1  0.666835  0.416710  0.610629  1
  S  S129  1  0.750487  0.541499  0.610261  1
  S  S130  1  0.835750  0.667712  0.607383  1
  S  S131  1  0.901354  0.799468  0.615869  1
  S  S132  1  0.000000  0.914222  0.607538  1
  S  S133  1  0.582476  0.043427  0.611205  1
  S  S134  1  0.665867  0.167432  0.611019  1
  S  S135  1  0.749760  0.290656  0.610834  1
  S  S136  1  0.833099  0.413850  0.610778  1
  S  S137  1  0.916089  0.535345  0.611714  1
  S  S138  1  0.000000  0.650667  0.615743  1
  S  S139  1  0.747980  0.043076  0.611018  1
  S  S140  1  0.832982  0.165712  0.610833  1
  S  S141  1  0.916480  0.289211  0.610927  1
  S  S142  1  0.000000  0.412515  0.611458  1
  S  S143  1  0.916389  0.040844  0.610477  1
  S  S144  1  0.000000  0.164960  0.610628  1
