# generated using pymatgen
data_MoW48S95
_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   MoW48S95
_chemical_formula_sum   'Mo1 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
  Mo  Mo1  1  0.083333  0.791854  0.386965  1
  W  W2  1  0.001968  0.750910  0.512237  1
  W  W3  1  0.083333  0.873169  0.512328  1
  W  W4  1  -0.000268  0.499779  0.500284  1
  W  W5  1  0.083334  0.623791  0.505744  1
  W  W6  1  0.164698  0.750910  0.512237  1
  W  W7  1  0.251149  0.875566  0.505471  1
  W  W8  1  0.000020  0.250116  0.498161  1
  W  W9  1  0.083333  0.375030  0.498631  1
  W  W10  1  0.166935  0.499779  0.500284  1
  W  W11  1  0.249606  0.625272  0.502117  1
  W  W12  1  0.332787  0.750033  0.501865  1
  W  W13  1  0.417001  0.874797  0.499872  1
  W  W14  1  0.000108  -0.000351  0.502222  1
  W  W15  1  0.083333  0.124977  0.499497  1
  W  W16  1  0.166647  0.250116  0.498161  1
  W  W17  1  0.250113  0.375026  0.498070  1
  W  W18  1  0.333383  0.500058  0.498563  1
  W  W19  1  0.416506  0.624977  0.498990  1
  W  W20  1  0.499962  0.749726  0.498402  1
  W  W21  1  0.583333  0.874737  0.498217  1
  W  W22  1  0.166559  -0.000351  0.502223  1
  W  W23  1  0.249949  0.125114  0.498735  1
  W  W24  1  0.333345  0.250070  0.497531  1
  W  W25  1  0.416677  0.375087  0.497342  1
  W  W26  1  0.500017  0.500008  0.497529  1
  W  W27  1  0.583333  0.624825  0.497796  1
  W  W28  1  0.666705  0.749726  0.498402  1
  W  W29  1  0.749666  0.874797  0.499872  1
  W  W30  1  0.333456  0.000320  0.500026  1
  W  W31  1  0.416673  0.125150  0.497863  1
  W  W32  1  0.500023  0.250116  0.497171  1
  W  W33  1  0.583333  0.375050  0.497104  1
  W  W34  1  0.666650  0.500008  0.497528  1
  W  W35  1  0.750160  0.624977  0.498988  1
  W  W36  1  0.833880  0.750033  0.501864  1
  W  W37  1  0.915518  0.875566  0.505470  1
  W  W38  1  0.500053  -0.000053  0.498318  1
  W  W39  1  0.583333  0.125028  0.497529  1
  W  W40  1  0.666643  0.250116  0.497171  1
  W  W41  1  0.749990  0.375087  0.497342  1
  W  W42  1  0.833283  0.500058  0.498562  1
  W  W43  1  0.917061  0.625272  0.502117  1
  W  W44  1  0.666614  -0.000053  0.498318  1
  W  W45  1  0.749994  0.125150  0.497863  1
  W  W46  1  0.833322  0.250070  0.497531  1
  W  W47  1  0.916554  0.375026  0.498070  1
  W  W48  1  0.833211  0.000320  0.500027  1
  W  W49  1  0.916717  0.125114  0.498735  1
  S  S50  1  0.165540  0.913294  0.394950  1
  S  S51  1  0.083334  0.542344  0.391419  1
  S  S52  1  0.163671  0.669154  0.394996  1
  S  S53  1  0.245800  0.792585  0.394757  1
  S  S54  1  0.332594  0.916316  0.391102  1
  S  S55  1  0.083333  0.291890  0.387443  1
  S  S56  1  0.166585  0.417150  0.388091  1
  S  S57  1  0.249333  0.542776  0.389583  1
  S  S58  1  0.332052  0.667160  0.390179  1
  S  S59  1  0.415241  0.791405  0.389271  1
  S  S60  1  0.499634  0.916337  0.387880  1
  S  S61  1  0.083334  0.040633  0.390551  1
  S  S62  1  0.166389  0.166391  0.387990  1
  S  S63  1  0.249826  0.291755  0.387041  1
  S  S64  1  0.333101  0.417049  0.387091  1
  S  S65  1  0.416271  0.541991  0.387481  1
  S  S66  1  0.499526  0.666542  0.387469  1
  S  S67  1  0.583333  0.791350  0.387400  1
  S  S68  1  0.667033  0.916336  0.387879  1
  S  S69  1  0.249122  0.040757  0.389626  1
  S  S70  1  0.332996  0.166452  0.387153  1
  S  S71  1  0.416533  0.291736  0.386494  1
  S  S72  1  0.499908  0.416796  0.386455  1
  S  S73  1  0.583333  0.541701  0.386670  1
  S  S74  1  0.667140  0.666542  0.387468  1
  S  S75  1  0.751426  0.791405  0.389271  1
  S  S76  1  0.834073  0.916316  0.391102  1
  S  S77  1  0.416262  0.041419  0.387870  1
  S  S78  1  0.499916  0.166583  0.386690  1
  S  S79  1  0.583333  0.291717  0.386285  1
  S  S80  1  0.666758  0.416796  0.386455  1
  S  S81  1  0.750396  0.541991  0.387480  1
  S  S82  1  0.834614  0.667159  0.390178  1
  S  S83  1  0.920867  0.792585  0.394757  1
  S  S84  1  0.001127  0.913293  0.394949  1
  S  S85  1  0.583333  0.041379  0.387222  1
  S  S86  1  0.666750  0.166583  0.386690  1
  S  S87  1  0.750134  0.291736  0.386494  1
  S  S88  1  0.833566  0.417048  0.387091  1
  S  S89  1  0.917334  0.542776  0.389583  1
  S  S90  1  0.002996  0.669154  0.394995  1
  S  S91  1  0.750405  0.041418  0.387870  1
  S  S92  1  0.833671  0.166452  0.387152  1
  S  S93  1  0.916841  0.291755  0.387041  1
  S  S94  1  0.000082  0.417150  0.388091  1
  S  S95  1  0.917545  0.040757  0.389625  1
  S  S96  1  0.000277  0.166391  0.387990  1
  S  S97  1  0.083333  0.791656  0.628470  1
  S  S98  1  0.169408  0.918237  0.616818  1
  S  S99  1  0.083333  0.538932  0.612727  1
  S  S100  1  0.166922  0.663866  0.616897  1
  S  S101  1  0.252929  0.792838  0.616652  1
  S  S102  1  0.336081  0.917969  0.612325  1
  S  S103  1  0.083333  0.291614  0.609073  1
  S  S104  1  0.167029  0.415814  0.609786  1
  S  S105  1  0.250855  0.540864  0.610918  1
  S  S106  1  0.334103  0.666262  0.611468  1
  S  S107  1  0.417802  0.791323  0.610531  1
  S  S108  1  0.500785  0.916780  0.609497  1
  S  S109  1  0.083333  0.042442  0.611798  1
  S  S110  1  0.166862  0.167148  0.609517  1
  S  S111  1  0.250276  0.291643  0.608660  1
  S  S112  1  0.333685  0.416417  0.608746  1
  S  S113  1  0.417095  0.541315  0.609102  1
  S  S114  1  0.500380  0.666379  0.609067  1
  S  S115  1  0.583333  0.791399  0.608959  1
  S  S116  1  0.665882  0.916780  0.609497  1
  S  S117  1  0.250516  0.042695  0.610871  1
  S  S118  1  0.333611  0.167071  0.608779  1
  S  S119  1  0.416825  0.291762  0.608113  1
  S  S120  1  0.500120  0.416564  0.608105  1
  S  S121  1  0.583333  0.541453  0.608403  1
  S  S122  1  0.666287  0.666379  0.609066  1
  S  S123  1  0.748865  0.791323  0.610531  1
  S  S124  1  0.830586  0.917969  0.612325  1
  S  S125  1  0.417432  0.042370  0.609478  1
  S  S126  1  0.500159  0.166991  0.608264  1
  S  S127  1  0.583333  0.291789  0.607957  1
  S  S128  1  0.666547  0.416564  0.608105  1
  S  S129  1  0.749572  0.541315  0.609101  1
  S  S130  1  0.832564  0.666261  0.611467  1
  S  S131  1  0.913737  0.792838  0.616651  1
  S  S132  1  -0.002741  0.918237  0.616817  1
  S  S133  1  0.583333  0.041930  0.608771  1
  S  S134  1  0.666507  0.166991  0.608264  1
  S  S135  1  0.749842  0.291762  0.608113  1
  S  S136  1  0.832982  0.416417  0.608746  1
  S  S137  1  0.915811  0.540864  0.610918  1
  S  S138  1  -0.000255  0.663865  0.616897  1
  S  S139  1  0.749234  0.042370  0.609478  1
  S  S140  1  0.833055  0.167071  0.608779  1
  S  S141  1  0.916390  0.291643  0.608660  1
  S  S142  1  -0.000363  0.415814  0.609786  1
  S  S143  1  0.916151  0.042695  0.610871  1
  S  S144  1  -0.000196  0.167148  0.609517  1
