# 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  0.792224  0.385887  1
  W  W2  1  0.002373  0.751142  0.512286  1
  W  W3  1  0.083333  0.872856  0.512716  1
  W  W4  1  -0.000172  0.500018  0.500287  1
  W  W5  1  0.083333  0.624125  0.505837  1
  W  W6  1  0.164294  0.751142  0.512285  1
  W  W7  1  0.250901  0.875389  0.505686  1
  W  W8  1  0.000083  0.249954  0.498195  1
  W  W9  1  0.083333  0.375114  0.498673  1
  W  W10  1  0.166839  0.500018  0.500287  1
  W  W11  1  0.249487  0.625511  0.502088  1
  W  W12  1  0.332606  0.750138  0.501901  1
  W  W13  1  0.416838  0.874719  0.500037  1
  W  W14  1  0.000209  -0.000633  0.502383  1
  W  W15  1  0.083333  0.124601  0.499583  1
  W  W16  1  0.166584  0.249954  0.498195  1
  W  W17  1  0.249974  0.375119  0.498003  1
  W  W18  1  0.333245  0.500376  0.498420  1
  W  W19  1  0.416312  0.625276  0.498932  1
  W  W20  1  0.499846  0.749831  0.498466  1
  W  W21  1  0.583333  0.874667  0.498383  1
  W  W22  1  0.166457  -0.000633  0.502383  1
  W  W23  1  0.249755  0.124795  0.498768  1
  W  W24  1  0.333197  0.249955  0.497408  1
  W  W25  1  0.416544  0.375225  0.497093  1
  W  W26  1  0.499930  0.500307  0.497354  1
  W  W27  1  0.583333  0.625147  0.497800  1
  W  W28  1  0.666820  0.749831  0.498466  1
  W  W29  1  0.749829  0.874719  0.500037  1
  W  W30  1  0.333293  0.000044  0.500172  1
  W  W31  1  0.416537  0.124884  0.497828  1
  W  W32  1  0.499918  0.250014  0.496897  1
  W  W33  1  0.583333  0.375238  0.496758  1
  W  W34  1  0.666737  0.500307  0.497354  1
  W  W35  1  0.750355  0.625276  0.498932  1
  W  W36  1  0.834060  0.750138  0.501900  1
  W  W37  1  0.915766  0.875389  0.505685  1
  W  W38  1  0.499948  -0.000295  0.498442  1
  W  W39  1  0.583334  0.124788  0.497438  1
  W  W40  1  0.666749  0.250014  0.496897  1
  W  W41  1  0.750122  0.375225  0.497094  1
  W  W42  1  0.833422  0.500376  0.498420  1
  W  W43  1  0.917180  0.625511  0.502088  1
  W  W44  1  0.666718  -0.000295  0.498442  1
  W  W45  1  0.750129  0.124884  0.497828  1
  W  W46  1  0.833470  0.249955  0.497409  1
  W  W47  1  0.916693  0.375119  0.498005  1
  W  W48  1  0.833374  0.000044  0.500172  1
  W  W49  1  0.916911  0.124795  0.498768  1
  S  S50  1  0.165378  0.912939  0.395000  1
  S  S51  1  0.083333  0.542702  0.391414  1
  S  S52  1  0.163493  0.669458  0.394934  1
  S  S53  1  0.245485  0.792632  0.394666  1
  S  S54  1  0.332355  0.916073  0.391204  1
  S  S55  1  0.083333  0.291833  0.387683  1
  S  S56  1  0.166454  0.417368  0.388201  1
  S  S57  1  0.249113  0.543082  0.389514  1
  S  S58  1  0.331786  0.667432  0.390060  1
  S  S59  1  0.415072  0.791466  0.389300  1
  S  S60  1  0.499531  0.916119  0.388045  1
  S  S61  1  0.083333  0.040212  0.390573  1
  S  S62  1  0.166272  0.166082  0.388151  1
  S  S63  1  0.249624  0.291729  0.387220  1
  S  S64  1  0.332858  0.417299  0.387175  1
  S  S65  1  0.416083  0.542373  0.387455  1
  S  S66  1  0.499410  0.666800  0.387504  1
  S  S67  1  0.583333  0.791400  0.387531  1
  S  S68  1  0.667135  0.916119  0.388045  1
  S  S69  1  0.248978  0.040373  0.389717  1
  S  S70  1  0.332781  0.166145  0.387337  1
  S  S71  1  0.416339  0.291719  0.386593  1
  S  S72  1  0.499784  0.417087  0.386502  1
  S  S73  1  0.583334  0.542103  0.386751  1
  S  S74  1  0.667257  0.666800  0.387504  1
  S  S75  1  0.751595  0.791466  0.389300  1
  S  S76  1  0.834311  0.916073  0.391203  1
  S  S77  1  0.416094  0.041035  0.388032  1
  S  S78  1  0.499804  0.166277  0.386841  1
  S  S79  1  0.583333  0.291704  0.386400  1
  S  S80  1  0.666883  0.417087  0.386502  1
  S  S81  1  0.750584  0.542373  0.387455  1
  S  S82  1  0.834880  0.667432  0.390061  1
  S  S83  1  0.921182  0.792632  0.394665  1
  S  S84  1  0.001289  0.912939  0.395000  1
  S  S85  1  0.583333  0.041009  0.387442  1
  S  S86  1  0.666863  0.166277  0.386841  1
  S  S87  1  0.750328  0.291719  0.386594  1
  S  S88  1  0.833809  0.417299  0.387175  1
  S  S89  1  0.917554  0.543082  0.389514  1
  S  S90  1  0.003174  0.669458  0.394934  1
  S  S91  1  0.750573  0.041035  0.388032  1
  S  S92  1  0.833885  0.166145  0.387337  1
  S  S93  1  0.917042  0.291729  0.387221  1
  S  S94  1  0.000213  0.417368  0.388202  1
  S  S95  1  0.917688  0.040373  0.389717  1
  S  S96  1  0.000395  0.166082  0.388152  1
  S  S97  1  0.083333  0.791653  0.629027  1
  S  S98  1  0.169307  0.918057  0.617250  1
  S  S99  1  0.083333  0.539268  0.612791  1
  S  S100  1  0.166882  0.664135  0.617076  1
  S  S101  1  0.252688  0.792738  0.616899  1
  S  S102  1  0.335836  0.917735  0.612559  1
  S  S103  1  0.083333  0.291581  0.608959  1
  S  S104  1  0.166988  0.416031  0.609673  1
  S  S105  1  0.250705  0.541163  0.610878  1
  S  S106  1  0.333890  0.666468  0.611583  1
  S  S107  1  0.417583  0.791307  0.610731  1
  S  S108  1  0.500696  0.916585  0.609661  1
  S  S109  1  0.083333  0.042091  0.612085  1
  S  S110  1  0.166761  0.166873  0.609490  1
  S  S111  1  0.250185  0.291634  0.608397  1
  S  S112  1  0.333566  0.416657  0.608383  1
  S  S113  1  0.416944  0.541632  0.608894  1
  S  S114  1  0.500238  0.666555  0.609095  1
  S  S115  1  0.583333  0.791369  0.609093  1
  S  S116  1  0.665971  0.916585  0.609661  1
  S  S117  1  0.250353  0.042360  0.611031  1
  S  S118  1  0.333453  0.166854  0.608530  1
  S  S119  1  0.416722  0.291790  0.607546  1
  S  S120  1  0.500046  0.416784  0.607534  1
  S  S121  1  0.583333  0.541723  0.608118  1
  S  S122  1  0.666428  0.666555  0.609095  1
  S  S123  1  0.749084  0.791307  0.610730  1
  S  S124  1  0.830830  0.917735  0.612559  1
  S  S125  1  0.417275  0.042112  0.609464  1
  S  S126  1  0.500084  0.166827  0.607822  1
  S  S127  1  0.583333  0.291813  0.607203  1
  S  S128  1  0.666620  0.416784  0.607535  1
  S  S129  1  0.749723  0.541632  0.608895  1
  S  S130  1  0.832777  0.666469  0.611583  1
  S  S131  1  0.913978  0.792738  0.616898  1
  S  S132  1  -0.002641  0.918056  0.617250  1
  S  S133  1  0.583333  0.041700  0.608658  1
  S  S134  1  0.666583  0.166827  0.607823  1
  S  S135  1  0.749945  0.291791  0.607547  1
  S  S136  1  0.833101  0.416657  0.608384  1
  S  S137  1  0.915961  0.541163  0.610877  1
  S  S138  1  -0.000215  0.664135  0.617076  1
  S  S139  1  0.749391  0.042112  0.609464  1
  S  S140  1  0.833214  0.166854  0.608531  1
  S  S141  1  0.916482  0.291634  0.608398  1
  S  S142  1  -0.000321  0.416031  0.609674  1
  S  S143  1  0.916313  0.042360  0.611031  1
  S  S144  1  -0.000094  0.166873  0.609490  1
