# 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  0.083334  0.791690  0.257837  1
  W  W2  1  0.003459  0.751789  0.508857  1
  W  W3  1  0.083333  0.871552  0.508854  1
  W  W4  1  0.000138  0.500870  0.501005  1
  W  W5  1  0.083333  0.626857  0.504576  1
  W  W6  1  0.163207  0.751789  0.508856  1
  W  W7  1  0.248267  0.874103  0.504530  1
  W  W8  1  0.000099  0.250038  0.499548  1
  W  W9  1  0.083333  0.375455  0.500023  1
  W  W10  1  0.166529  0.500870  0.501005  1
  W  W11  1  0.249411  0.626044  0.501511  1
  W  W12  1  0.332174  0.749996  0.501433  1
  W  W13  1  0.416003  0.874606  0.500810  1
  W  W14  1  0.000656  -0.000923  0.501521  1
  W  W15  1  0.083333  0.124637  0.499906  1
  W  W16  1  0.166568  0.250038  0.499548  1
  W  W17  1  0.249801  0.375350  0.499773  1
  W  W18  1  0.332986  0.500581  0.499898  1
  W  W19  1  0.416314  0.625275  0.499832  1
  W  W20  1  0.499625  0.749951  0.499644  1
  W  W21  1  0.583333  0.874708  0.499765  1
  W  W22  1  0.166011  -0.000923  0.501521  1
  W  W23  1  0.249589  0.124526  0.499888  1
  W  W24  1  0.333068  0.249904  0.499592  1
  W  W25  1  0.416453  0.375187  0.499656  1
  W  W26  1  0.499873  0.500222  0.499557  1
  W  W27  1  0.583333  0.625171  0.499395  1
  W  W28  1  0.667042  0.749951  0.499644  1
  W  W29  1  0.750664  0.874606  0.500810  1
  W  W30  1  0.332647  -0.000576  0.500949  1
  W  W31  1  0.416367  0.124643  0.499832  1
  W  W32  1  0.499852  0.249867  0.499720  1
  W  W33  1  0.583333  0.375083  0.499714  1
  W  W34  1  0.666794  0.500222  0.499557  1
  W  W35  1  0.750353  0.625275  0.499832  1
  W  W36  1  0.834492  0.749996  0.501433  1
  W  W37  1  0.918400  0.874103  0.504530  1
  W  W38  1  0.499742  -0.000432  0.500007  1
  W  W39  1  0.583333  0.124646  0.499706  1
  W  W40  1  0.666815  0.249867  0.499720  1
  W  W41  1  0.750214  0.375187  0.499656  1
  W  W42  1  0.833681  0.500581  0.499898  1
  W  W43  1  0.917256  0.626044  0.501511  1
  W  W44  1  0.666925  -0.000431  0.500007  1
  W  W45  1  0.750300  0.124643  0.499832  1
  W  W46  1  0.833599  0.249904  0.499592  1
  W  W47  1  0.916866  0.375350  0.499773  1
  W  W48  1  0.834019  -0.000576  0.500949  1
  W  W49  1  0.917077  0.124526  0.499888  1
  S  S50  1  0.164097  0.912651  0.394137  1
  S  S51  1  0.083333  0.543926  0.391692  1
  S  S52  1  0.163924  0.670677  0.394134  1
  S  S53  1  0.244723  0.791758  0.394119  1
  S  S54  1  0.331224  0.915512  0.391589  1
  S  S55  1  0.083333  0.292044  0.389037  1
  S  S56  1  0.166460  0.417674  0.389633  1
  S  S57  1  0.249167  0.542992  0.390054  1
  S  S58  1  0.332273  0.667246  0.389992  1
  S  S59  1  0.415184  0.791591  0.389840  1
  S  S60  1  0.499323  0.916159  0.389522  1
  S  S61  1  0.083333  0.040609  0.390072  1
  S  S62  1  0.166520  0.166349  0.389058  1
  S  S63  1  0.249826  0.291888  0.388988  1
  S  S64  1  0.333027  0.417164  0.389162  1
  S  S65  1  0.416270  0.542021  0.389032  1
  S  S66  1  0.499645  0.666794  0.388820  1
  S  S67  1  0.583333  0.791518  0.388946  1
  S  S68  1  0.667343  0.916159  0.389522  1
  S  S69  1  0.249162  0.040414  0.390056  1
  S  S70  1  0.332949  0.166244  0.389172  1
  S  S71  1  0.416485  0.291661  0.389121  1
  S  S72  1  0.499900  0.416777  0.389071  1
  S  S73  1  0.583333  0.541809  0.388832  1
  S  S74  1  0.667022  0.666794  0.388820  1
  S  S75  1  0.751483  0.791591  0.389840  1
  S  S76  1  0.835443  0.915512  0.391589  1
  S  S77  1  0.415927  0.040941  0.389666  1
  S  S78  1  0.499805  0.166320  0.389215  1
  S  S79  1  0.583333  0.291572  0.389246  1
  S  S80  1  0.666767  0.416777  0.389071  1
  S  S81  1  0.750397  0.542021  0.389032  1
  S  S82  1  0.834394  0.667246  0.389992  1
  S  S83  1  0.921944  0.791758  0.394119  1
  S  S84  1  0.002570  0.912651  0.394137  1
  S  S85  1  0.583333  0.041116  0.389292  1
  S  S86  1  0.666862  0.166320  0.389215  1
  S  S87  1  0.750182  0.291661  0.389121  1
  S  S88  1  0.833639  0.417164  0.389162  1
  S  S89  1  0.917500  0.542992  0.390054  1
  S  S90  1  0.002743  0.670677  0.394134  1
  S  S91  1  0.750740  0.040942  0.389666  1
  S  S92  1  0.833717  0.166244  0.389172  1
  S  S93  1  0.916841  0.291888  0.388988  1
  S  S94  1  0.000207  0.417674  0.389633  1
  S  S95  1  0.917504  0.040414  0.390056  1
  S  S96  1  0.000147  0.166349  0.389058  1
  S  S97  1  0.083333  0.791704  0.622857  1
  S  S98  1  0.165652  0.916915  0.615734  1
  S  S99  1  0.083333  0.541837  0.612714  1
  S  S100  1  0.167454  0.667402  0.615751  1
  S  S101  1  0.249817  0.790750  0.615693  1
  S  S102  1  0.333387  0.916511  0.612584  1
  S  S103  1  0.083333  0.291775  0.610264  1
  S  S104  1  0.166669  0.416924  0.610857  1
  S  S105  1  0.250134  0.542196  0.611433  1
  S  S106  1  0.333483  0.666695  0.611538  1
  S  S107  1  0.416545  0.791275  0.611207  1
  S  S108  1  0.500024  0.916294  0.610752  1
  S  S109  1  0.083333  0.041768  0.611591  1
  S  S110  1  0.166526  0.166672  0.610389  1
  S  S111  1  0.249824  0.291772  0.610200  1
  S  S112  1  0.333173  0.416990  0.610346  1
  S  S113  1  0.416613  0.541903  0.610431  1
  S  S114  1  0.499999  0.666693  0.610283  1
  S  S115  1  0.583333  0.791390  0.610239  1
  S  S116  1  0.666643  0.916294  0.610752  1
  S  S117  1  0.249513  0.041526  0.611387  1
  S  S118  1  0.333004  0.166492  0.610302  1
  S  S119  1  0.416417  0.291670  0.610193  1
  S  S120  1  0.499891  0.416836  0.610237  1
  S  S121  1  0.583333  0.541870  0.610124  1
  S  S122  1  0.666667  0.666693  0.610283  1
  S  S123  1  0.750121  0.791275  0.611207  1
  S  S124  1  0.833280  0.916511  0.612584  1
  S  S125  1  0.416517  0.041413  0.610805  1
  S  S126  1  0.499878  0.166410  0.610268  1
  S  S127  1  0.583333  0.291594  0.610239  1
  S  S128  1  0.666776  0.416836  0.610237  1
  S  S129  1  0.750053  0.541903  0.610430  1
  S  S130  1  0.833183  0.666694  0.611538  1
  S  S131  1  0.916849  0.790750  0.615693  1
  S  S132  1  0.001014  0.916915  0.615734  1
  S  S133  1  0.583333  0.041314  0.610418  1
  S  S134  1  0.666788  0.166410  0.610268  1
  S  S135  1  0.750250  0.291670  0.610193  1
  S  S136  1  0.833493  0.416990  0.610346  1
  S  S137  1  0.916533  0.542196  0.611433  1
  S  S138  1  -0.000787  0.667402  0.615751  1
  S  S139  1  0.750150  0.041413  0.610805  1
  S  S140  1  0.833662  0.166492  0.610302  1
  S  S141  1  0.916843  0.291772  0.610200  1
  S  S142  1  -0.000003  0.416924  0.610857  1
  S  S143  1  0.917154  0.041526  0.611387  1
  S  S144  1  0.000140  0.166672  0.610389  1
