# generated using pymatgen
data_W49S95
_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   W49S95
_chemical_formula_sum   'W49 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
  W  W1  1  0.001615  0.750784  0.511523  1
  W  W2  1  0.083334  0.873443  0.511636  1
  W  W3  1  -0.000127  0.499957  0.500269  1
  W  W4  1  0.083334  0.624195  0.505292  1
  W  W5  1  0.165052  0.750785  0.511523  1
  W  W6  1  0.250811  0.875365  0.505062  1
  W  W7  1  0.000076  0.249856  0.498307  1
  W  W8  1  0.083333  0.375079  0.498723  1
  W  W9  1  0.166794  0.499957  0.500269  1
  W  W10  1  0.249433  0.625466  0.502002  1
  W  W11  1  0.332626  0.750229  0.501762  1
  W  W12  1  0.416864  0.874813  0.499917  1
  W  W13  1  0.000118  -0.000682  0.502202  1
  W  W14  1  0.083333  0.124453  0.499651  1
  W  W15  1  0.166590  0.249857  0.498307  1
  W  W16  1  0.249977  0.375060  0.498142  1
  W  W17  1  0.333223  0.500438  0.498554  1
  W  W18  1  0.416218  0.625339  0.499020  1
  W  W19  1  0.499799  0.749888  0.498430  1
  W  W20  1  0.583333  0.874716  0.498377  1
  W  W21  1  0.166548  -0.000682  0.502202  1
  W  W22  1  0.249691  0.124724  0.498877  1
  W  W23  1  0.333200  0.249939  0.497632  1
  W  W24  1  0.416532  0.375223  0.497352  1
  W  W25  1  0.499930  0.500327  0.497597  1
  W  W26  1  0.583333  0.625240  0.497930  1
  W  W27  1  0.666867  0.749888  0.498430  1
  W  W28  1  0.749803  0.874812  0.499917  1
  W  W29  1  0.333343  0.000035  0.500124  1
  W  W30  1  0.416559  0.124929  0.498041  1
  W  W31  1  0.499900  0.250034  0.497195  1
  W  W32  1  0.583333  0.375298  0.497075  1
  W  W33  1  0.666736  0.500327  0.497597  1
  W  W34  1  0.750448  0.625339  0.499020  1
  W  W35  1  0.834041  0.750228  0.501761  1
  W  W36  1  0.915856  0.875365  0.505062  1
  W  W37  1  0.499888  -0.000222  0.498523  1
  W  W38  1  0.583333  0.124837  0.497679  1
  W  W39  1  0.666766  0.250034  0.497196  1
  W  W40  1  0.750135  0.375223  0.497353  1
  W  W41  1  0.833445  0.500438  0.498554  1
  W  W42  1  0.917234  0.625466  0.502002  1
  W  W43  1  0.666778  -0.000222  0.498523  1
  W  W44  1  0.750107  0.124928  0.498042  1
  W  W45  1  0.833467  0.249938  0.497632  1
  W  W46  1  0.916690  0.375060  0.498142  1
  W  W47  1  0.833324  0.000035  0.500124  1
  W  W48  1  0.916975  0.124724  0.498877  1
  W  W49  1  0.083333  0.791800  0.386951  1
  S  S50  1  0.165773  0.913392  0.394029  1
  S  S51  1  0.083333  0.542528  0.391073  1
  S  S52  1  0.163751  0.668937  0.394054  1
  S  S53  1  0.246128  0.792679  0.393803  1
  S  S54  1  0.332483  0.916177  0.390787  1
  S  S55  1  0.083333  0.291743  0.387706  1
  S  S56  1  0.166488  0.417292  0.388155  1
  S  S57  1  0.249146  0.542980  0.389395  1
  S  S58  1  0.331767  0.667444  0.389909  1
  S  S59  1  0.415145  0.791536  0.389059  1
  S  S60  1  0.499567  0.916225  0.387946  1
  S  S61  1  0.083333  0.040153  0.390369  1
  S  S62  1  0.166265  0.165986  0.388150  1
  S  S63  1  0.249648  0.291666  0.387302  1
  S  S64  1  0.332884  0.417287  0.387301  1
  S  S65  1  0.416070  0.542395  0.387552  1
  S  S66  1  0.499385  0.666818  0.387524  1
  S  S67  1  0.583333  0.791441  0.387495  1
  S  S68  1  0.667099  0.916225  0.387946  1
  S  S69  1  0.249065  0.040425  0.389522  1
  S  S70  1  0.332778  0.166143  0.387479  1
  S  S71  1  0.416346  0.291724  0.386761  1
  S  S72  1  0.499785  0.417088  0.386684  1
  S  S73  1  0.583333  0.542113  0.386916  1
  S  S74  1  0.667282  0.666818  0.387523  1
  S  S75  1  0.751521  0.791535  0.389059  1
  S  S76  1  0.834183  0.916177  0.390787  1
  S  S77  1  0.416113  0.041143  0.388003  1
  S  S78  1  0.499805  0.166330  0.386987  1
  S  S79  1  0.583334  0.291739  0.386612  1
  S  S80  1  0.666882  0.417088  0.386684  1
  S  S81  1  0.750596  0.542395  0.387552  1
  S  S82  1  0.834900  0.667444  0.389908  1
  S  S83  1  0.920538  0.792679  0.393803  1
  S  S84  1  0.000894  0.913392  0.394028  1
  S  S85  1  0.583333  0.041109  0.387530  1
  S  S86  1  0.666862  0.166329  0.386987  1
  S  S87  1  0.750321  0.291724  0.386762  1
  S  S88  1  0.833783  0.417287  0.387301  1
  S  S89  1  0.917521  0.542980  0.389394  1
  S  S90  1  0.002916  0.668937  0.394054  1
  S  S91  1  0.750554  0.041143  0.388003  1
  S  S92  1  0.833888  0.166144  0.387479  1
  S  S93  1  0.917019  0.291666  0.387303  1
  S  S94  1  0.000178  0.417292  0.388155  1
  S  S95  1  0.917601  0.040425  0.389522  1
  S  S96  1  0.000401  0.165986  0.388150  1
  S  S97  1  0.083333  0.791648  0.627957  1
  S  S98  1  0.169488  0.917891  0.617128  1
  S  S99  1  0.083333  0.539406  0.612728  1
  S  S100  1  0.166648  0.663962  0.617124  1
  S  S101  1  0.252758  0.793019  0.616902  1
  S  S102  1  0.335683  0.917655  0.612442  1
  S  S103  1  0.083333  0.291513  0.609063  1
  S  S104  1  0.166959  0.416041  0.609807  1
  S  S105  1  0.250581  0.541238  0.611037  1
  S  S106  1  0.333697  0.666605  0.611728  1
  S  S107  1  0.417476  0.791394  0.610749  1
  S  S108  1  0.500652  0.916589  0.609729  1
  S  S109  1  0.083333  0.041820  0.612161  1
  S  S110  1  0.166705  0.166740  0.609699  1
  S  S111  1  0.250119  0.291584  0.608638  1
  S  S112  1  0.333503  0.416693  0.608634  1
  S  S113  1  0.416865  0.541734  0.609153  1
  S  S114  1  0.500169  0.666657  0.609232  1
  S  S115  1  0.583333  0.791424  0.609105  1
  S  S116  1  0.666015  0.916589  0.609729  1
  S  S117  1  0.250311  0.042198  0.611160  1
  S  S118  1  0.333372  0.166790  0.608791  1
  S  S119  1  0.416696  0.291791  0.607929  1
  S  S120  1  0.500024  0.416825  0.607909  1
  S  S121  1  0.583333  0.541817  0.608383  1
  S  S122  1  0.666498  0.666657  0.609232  1
  S  S123  1  0.749190  0.791394  0.610749  1
  S  S124  1  0.830984  0.917655  0.612442  1
  S  S125  1  0.417183  0.042079  0.609665  1
  S  S126  1  0.500061  0.166839  0.608189  1
  S  S127  1  0.583332  0.291839  0.607601  1
  S  S128  1  0.666643  0.416825  0.607909  1
  S  S129  1  0.749802  0.541734  0.609152  1
  S  S130  1  0.832970  0.666604  0.611729  1
  S  S131  1  0.913908  0.793019  0.616901  1
  S  S132  1  -0.002821  0.917891  0.617128  1
  S  S133  1  0.583333  0.041695  0.608833  1
  S  S134  1  0.666605  0.166839  0.608189  1
  S  S135  1  0.749971  0.291791  0.607930  1
  S  S136  1  0.833164  0.416693  0.608635  1
  S  S137  1  0.916086  0.541238  0.611037  1
  S  S138  1  0.000019  0.663962  0.617123  1
  S  S139  1  0.749484  0.042079  0.609665  1
  S  S140  1  0.833295  0.166789  0.608792  1
  S  S141  1  0.916547  0.291584  0.608639  1
  S  S142  1  -0.000292  0.416041  0.609807  1
  S  S143  1  0.916356  0.042198  0.611160  1
  S  S144  1  -0.000038  0.166739  0.609699  1
