# 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  0.792024  0.386207  1
  W  W2  1  0.002244  0.751057  0.512228  1
  W  W3  1  0.083333  0.872924  0.512492  1
  W  W4  1  -0.000211  0.499959  0.500278  1
  W  W5  1  0.083333  0.624028  0.505828  1
  W  W6  1  0.164422  0.751057  0.512229  1
  W  W7  1  0.250977  0.875444  0.505462  1
  W  W8  1  0.000070  0.250004  0.498153  1
  W  W9  1  0.083333  0.375107  0.498608  1
  W  W10  1  0.166878  0.499959  0.500278  1
  W  W11  1  0.249548  0.625436  0.502037  1
  W  W12  1  0.332660  0.750119  0.501657  1
  W  W13  1  0.416908  0.874740  0.499812  1
  W  W14  1  0.000178  -0.000548  0.502304  1
  W  W15  1  0.083333  0.124725  0.499460  1
  W  W16  1  0.166597  0.250004  0.498153  1
  W  W17  1  0.250004  0.375104  0.498076  1
  W  W18  1  0.333300  0.500278  0.498504  1
  W  W19  1  0.416391  0.625189  0.498924  1
  W  W20  1  0.499890  0.749794  0.498377  1
  W  W21  1  0.583333  0.874685  0.498331  1
  W  W22  1  0.166488  -0.000548  0.502304  1
  W  W23  1  0.249804  0.124886  0.498807  1
  W  W24  1  0.333222  0.249996  0.497579  1
  W  W25  1  0.416594  0.375190  0.497262  1
  W  W26  1  0.499955  0.500236  0.497585  1
  W  W27  1  0.583333  0.625049  0.497943  1
  W  W28  1  0.666777  0.749794  0.498377  1
  W  W29  1  0.749758  0.874740  0.499812  1
  W  W30  1  0.333334  0.000116  0.500107  1
  W  W31  1  0.416562  0.124946  0.497992  1
  W  W32  1  0.499947  0.250042  0.497019  1
  W  W33  1  0.583333  0.375200  0.496934  1
  W  W34  1  0.666712  0.500236  0.497584  1
  W  W35  1  0.750276  0.625189  0.498924  1
  W  W36  1  0.834006  0.750119  0.501657  1
  W  W37  1  0.915689  0.875444  0.505462  1
  W  W38  1  0.499977  -0.000229  0.498486  1
  W  W39  1  0.583333  0.124861  0.497596  1
  W  W40  1  0.666720  0.250042  0.497019  1
  W  W41  1  0.750073  0.375190  0.497262  1
  W  W42  1  0.833367  0.500278  0.498504  1
  W  W43  1  0.917119  0.625436  0.502037  1
  W  W44  1  0.666690  -0.000229  0.498486  1
  W  W45  1  0.750104  0.124947  0.497992  1
  W  W46  1  0.833445  0.249996  0.497579  1
  W  W47  1  0.916663  0.375104  0.498076  1
  W  W48  1  0.833332  0.000116  0.500107  1
  W  W49  1  0.916863  0.124886  0.498807  1
  S  S50  1  0.165422  0.913095  0.394894  1
  S  S51  1  0.083333  0.542606  0.391410  1
  S  S52  1  0.163554  0.669313  0.394941  1
  S  S53  1  0.245522  0.792628  0.394519  1
  S  S54  1  0.332444  0.916173  0.391029  1
  S  S55  1  0.083334  0.291859  0.387579  1
  S  S56  1  0.166517  0.417311  0.388171  1
  S  S57  1  0.249223  0.542968  0.389518  1
  S  S58  1  0.331905  0.667303  0.389963  1
  S  S59  1  0.415194  0.791431  0.389104  1
  S  S60  1  0.499636  0.916238  0.387958  1
  S  S61  1  0.083333  0.040324  0.390511  1
  S  S62  1  0.166355  0.166185  0.388061  1
  S  S63  1  0.249710  0.291748  0.387232  1
  S  S64  1  0.332947  0.417211  0.387216  1
  S  S65  1  0.416183  0.542223  0.387522  1
  S  S66  1  0.499520  0.666683  0.387508  1
  S  S67  1  0.583333  0.791391  0.387456  1
  S  S68  1  0.667030  0.916238  0.387958  1
  S  S69  1  0.249020  0.040515  0.389694  1
  S  S70  1  0.332861  0.166252  0.387437  1
  S  S71  1  0.416366  0.291724  0.386674  1
  S  S72  1  0.499822  0.417048  0.386611  1
  S  S73  1  0.583333  0.541984  0.386921  1
  S  S74  1  0.667147  0.666683  0.387508  1
  S  S75  1  0.751472  0.791431  0.389104  1
  S  S76  1  0.834222  0.916173  0.391029  1
  S  S77  1  0.416177  0.041169  0.388074  1
  S  S78  1  0.499821  0.166325  0.386927  1
  S  S79  1  0.583333  0.291725  0.386423  1
  S  S80  1  0.666844  0.417048  0.386611  1
  S  S81  1  0.750484  0.542223  0.387523  1
  S  S82  1  0.834762  0.667302  0.389962  1
  S  S83  1  0.921144  0.792628  0.394520  1
  S  S84  1  0.001244  0.913094  0.394894  1
  S  S85  1  0.583333  0.041135  0.387511  1
  S  S86  1  0.666846  0.166325  0.386927  1
  S  S87  1  0.750302  0.291723  0.386674  1
  S  S88  1  0.833720  0.417210  0.387216  1
  S  S89  1  0.917444  0.542968  0.389518  1
  S  S90  1  0.003113  0.669313  0.394941  1
  S  S91  1  0.750489  0.041169  0.388074  1
  S  S92  1  0.833805  0.166253  0.387437  1
  S  S93  1  0.916957  0.291748  0.387233  1
  S  S94  1  0.000150  0.417311  0.388171  1
  S  S95  1  0.917647  0.040515  0.389694  1
  S  S96  1  0.000312  0.166185  0.388061  1
  S  S97  1  0.083333  0.791643  0.628840  1
  S  S98  1  0.169344  0.918076  0.617013  1
  S  S99  1  0.083333  0.539173  0.612779  1
  S  S100  1  0.166935  0.664049  0.617010  1
  S  S101  1  0.252808  0.792771  0.616647  1
  S  S102  1  0.335930  0.917746  0.612355  1
  S  S103  1  0.083334  0.291602  0.608917  1
  S  S104  1  0.166956  0.415991  0.609717  1
  S  S105  1  0.250756  0.541102  0.610889  1
  S  S106  1  0.333967  0.666481  0.611412  1
  S  S107  1  0.417615  0.791321  0.610473  1
  S  S108  1  0.500681  0.916591  0.609590  1
  S  S109  1  0.083333  0.042218  0.611935  1
  S  S110  1  0.166747  0.166962  0.609460  1
  S  S111  1  0.250151  0.291648  0.608516  1
  S  S112  1  0.333592  0.416590  0.608551  1
  S  S113  1  0.416946  0.541583  0.609039  1
  S  S114  1  0.500247  0.666551  0.609122  1
  S  S115  1  0.583333  0.791353  0.609004  1
  S  S116  1  0.665985  0.916591  0.609590  1
  S  S117  1  0.250394  0.042421  0.611001  1
  S  S118  1  0.333461  0.166908  0.608717  1
  S  S119  1  0.416774  0.291784  0.607762  1
  S  S120  1  0.500086  0.416708  0.607809  1
  S  S121  1  0.583334  0.541662  0.608398  1
  S  S122  1  0.666420  0.666551  0.609122  1
  S  S123  1  0.749051  0.791321  0.610473  1
  S  S124  1  0.830736  0.917746  0.612355  1
  S  S125  1  0.417280  0.042127  0.609559  1
  S  S126  1  0.500102  0.166894  0.608027  1
  S  S127  1  0.583333  0.291810  0.607399  1
  S  S128  1  0.666581  0.416708  0.607808  1
  S  S129  1  0.749720  0.541582  0.609038  1
  S  S130  1  0.832699  0.666481  0.611412  1
  S  S131  1  0.913858  0.792770  0.616647  1
  S  S132  1  -0.002678  0.918076  0.617014  1
  S  S133  1  0.583333  0.041748  0.608770  1
  S  S134  1  0.666564  0.166894  0.608027  1
  S  S135  1  0.749894  0.291784  0.607763  1
  S  S136  1  0.833075  0.416590  0.608551  1
  S  S137  1  0.915911  0.541102  0.610889  1
  S  S138  1  -0.000269  0.664049  0.617010  1
  S  S139  1  0.749387  0.042127  0.609559  1
  S  S140  1  0.833206  0.166908  0.608718  1
  S  S141  1  0.916516  0.291647  0.608516  1
  S  S142  1  -0.000289  0.415991  0.609717  1
  S  S143  1  0.916272  0.042421  0.611002  1
  S  S144  1  -0.000080  0.166962  0.609460  1
