# 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  0.083334  0.791166  0.371549  1
  W  W2  1  0.002177  0.751014  0.510883  1
  W  W3  1  0.083333  0.872850  0.510764  1
  W  W4  1  0.000023  0.500015  0.500490  1
  W  W5  1  0.083333  0.624743  0.505206  1
  W  W6  1  0.164490  0.751014  0.510884  1
  W  W7  1  0.250155  0.875123  0.505065  1
  W  W8  1  0.000045  0.249777  0.498488  1
  W  W9  1  0.083333  0.374910  0.499015  1
  W  W10  1  0.166643  0.500015  0.500491  1
  W  W11  1  0.249250  0.625664  0.501704  1
  W  W12  1  0.332256  0.750257  0.501487  1
  W  W13  1  0.416593  0.874960  0.500291  1
  W  W14  1  0.000310  -0.000886  0.502070  1
  W  W15  1  0.083333  0.124554  0.499540  1
  W  W16  1  0.166622  0.249777  0.498488  1
  W  W17  1  0.249931  0.374958  0.498413  1
  W  W18  1  0.333055  0.500284  0.498541  1
  W  W19  1  0.416287  0.625265  0.498752  1
  W  W20  1  0.499724  0.750086  0.498480  1
  W  W21  1  0.583333  0.874977  0.498834  1
  W  W22  1  0.166357  -0.000886  0.502070  1
  W  W23  1  0.249847  0.124648  0.499087  1
  W  W24  1  0.333236  0.249911  0.497989  1
  W  W25  1  0.416544  0.375136  0.497564  1
  W  W26  1  0.499889  0.500219  0.497532  1
  W  W27  1  0.583333  0.625202  0.497748  1
  W  W28  1  0.666943  0.750086  0.498480  1
  W  W29  1  0.750074  0.874960  0.500291  1
  W  W30  1  0.333270  -0.000064  0.500577  1
  W  W31  1  0.416622  0.124991  0.498547  1
  W  W32  1  0.499962  0.250086  0.497594  1
  W  W33  1  0.583333  0.375156  0.497266  1
  W  W34  1  0.666777  0.500219  0.497532  1
  W  W35  1  0.750379  0.625265  0.498751  1
  W  W36  1  0.834410  0.750257  0.501487  1
  W  W37  1  0.916512  0.875123  0.505065  1
  W  W38  1  0.499964  -0.000034  0.499115  1
  W  W39  1  0.583333  0.125046  0.498271  1
  W  W40  1  0.666704  0.250086  0.497594  1
  W  W41  1  0.750123  0.375136  0.497564  1
  W  W42  1  0.833612  0.500284  0.498541  1
  W  W43  1  0.917417  0.625665  0.501704  1
  W  W44  1  0.666703  -0.000034  0.499115  1
  W  W45  1  0.750045  0.124991  0.498547  1
  W  W46  1  0.833430  0.249911  0.497989  1
  W  W47  1  0.916736  0.374958  0.498413  1
  W  W48  1  0.833397  -0.000064  0.500577  1
  W  W49  1  0.916819  0.124648  0.499087  1
  S  S50  1  0.164654  0.912266  0.394566  1
  S  S51  1  0.083333  0.542813  0.391392  1
  S  S52  1  0.163028  0.670364  0.394496  1
  S  S53  1  0.244278  0.792557  0.394341  1
  S  S54  1  0.332110  0.916115  0.391262  1
  S  S55  1  0.083333  0.291650  0.387922  1
  S  S56  1  0.166426  0.417187  0.388549  1
  S  S57  1  0.248935  0.542954  0.389491  1
  S  S58  1  0.331678  0.667482  0.389883  1
  S  S59  1  0.414969  0.791781  0.389294  1
  S  S60  1  0.499514  0.916482  0.388620  1
  S  S61  1  0.083333  0.040139  0.390464  1
  S  S62  1  0.166446  0.166019  0.388284  1
  S  S63  1  0.249718  0.291581  0.387539  1
  S  S64  1  0.332823  0.417055  0.387430  1
  S  S65  1  0.416029  0.542175  0.387504  1
  S  S66  1  0.499440  0.666956  0.387533  1
  S  S67  1  0.583333  0.791786  0.387826  1
  S  S68  1  0.667153  0.916482  0.388620  1
  S  S69  1  0.249129  0.040311  0.389832  1
  S  S70  1  0.332960  0.166183  0.387789  1
  S  S71  1  0.416403  0.291637  0.386956  1
  S  S72  1  0.499794  0.416891  0.386695  1
  S  S73  1  0.583333  0.541986  0.386850  1
  S  S74  1  0.667227  0.666956  0.387533  1
  S  S75  1  0.751698  0.791781  0.389294  1
  S  S76  1  0.834557  0.916115  0.391262  1
  S  S77  1  0.416145  0.041211  0.388659  1
  S  S78  1  0.499882  0.166416  0.387368  1
  S  S79  1  0.583333  0.291661  0.386697  1
  S  S80  1  0.666872  0.416891  0.386695  1
  S  S81  1  0.750638  0.542175  0.387504  1
  S  S82  1  0.834989  0.667482  0.389883  1
  S  S83  1  0.922389  0.792557  0.394340  1
  S  S84  1  0.002012  0.912266  0.394566  1
  S  S85  1  0.583333  0.041367  0.388141  1
  S  S86  1  0.666785  0.166416  0.387368  1
  S  S87  1  0.750263  0.291637  0.386956  1
  S  S88  1  0.833843  0.417055  0.387430  1
  S  S89  1  0.917732  0.542954  0.389491  1
  S  S90  1  0.003639  0.670364  0.394496  1
  S  S91  1  0.750522  0.041211  0.388659  1
  S  S92  1  0.833707  0.166183  0.387789  1
  S  S93  1  0.916949  0.291581  0.387539  1
  S  S94  1  0.000241  0.417187  0.388549  1
  S  S95  1  0.917537  0.040311  0.389832  1
  S  S96  1  0.000221  0.166019  0.388284  1
  S  S97  1  0.083333  0.791638  0.624217  1
  S  S98  1  0.168202  0.917652  0.616745  1
  S  S99  1  0.083333  0.539921  0.612949  1
  S  S100  1  0.167023  0.664875  0.616709  1
  S  S101  1  0.251931  0.792277  0.616550  1
  S  S102  1  0.335014  0.917410  0.612820  1
  S  S103  1  0.083333  0.291359  0.609316  1
  S  S104  1  0.166910  0.416025  0.609994  1
  S  S105  1  0.250528  0.541446  0.610716  1
  S  S106  1  0.333719  0.666559  0.611094  1
  S  S107  1  0.417118  0.791348  0.610473  1
  S  S108  1  0.500492  0.916708  0.610074  1
  S  S109  1  0.083333  0.041910  0.611764  1
  S  S110  1  0.166724  0.166687  0.609703  1
  S  S111  1  0.250115  0.291513  0.608964  1
  S  S112  1  0.333500  0.416634  0.608782  1
  S  S113  1  0.416845  0.541644  0.608872  1
  S  S114  1  0.500151  0.666639  0.608892  1
  S  S115  1  0.583333  0.791473  0.609093  1
  S  S116  1  0.666174  0.916708  0.610074  1
  S  S117  1  0.250050  0.042047  0.611070  1
  S  S118  1  0.333377  0.166819  0.609160  1
  S  S119  1  0.416711  0.291810  0.608348  1
  S  S120  1  0.500046  0.416776  0.608071  1
  S  S121  1  0.583333  0.541754  0.608208  1
  S  S122  1  0.666516  0.666639  0.608892  1
  S  S123  1  0.749549  0.791348  0.610473  1
  S  S124  1  0.831653  0.917410  0.612820  1
  S  S125  1  0.417096  0.042142  0.610094  1
  S  S126  1  0.500065  0.167021  0.608794  1
  S  S127  1  0.583333  0.291899  0.608120  1
  S  S128  1  0.666621  0.416776  0.608071  1
  S  S129  1  0.749822  0.541644  0.608872  1
  S  S130  1  0.832948  0.666559  0.611094  1
  S  S131  1  0.914736  0.792277  0.616550  1
  S  S132  1  -0.001536  0.917652  0.616745  1
  S  S133  1  0.583333  0.041943  0.609474  1
  S  S134  1  0.666602  0.167021  0.608794  1
  S  S135  1  0.749956  0.291810  0.608348  1
  S  S136  1  0.833167  0.416634  0.608782  1
  S  S137  1  0.916138  0.541446  0.610715  1
  S  S138  1  -0.000356  0.664875  0.616709  1
  S  S139  1  0.749571  0.042142  0.610094  1
  S  S140  1  0.833290  0.166819  0.609160  1
  S  S141  1  0.916551  0.291513  0.608964  1
  S  S142  1  -0.000244  0.416025  0.609994  1
  S  S143  1  0.916617  0.042047  0.611070  1
  S  S144  1  -0.000057  0.166687  0.609703  1
