# 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  0.791878  0.386837  1
  W  W2  1  0.002133  0.750977  0.512513  1
  W  W3  1  0.083333  0.872996  0.512640  1
  W  W4  1  -0.000257  0.499873  0.500275  1
  W  W5  1  0.083333  0.623899  0.505967  1
  W  W6  1  0.164533  0.750977  0.512513  1
  W  W7  1  0.251070  0.875514  0.505487  1
  W  W8  1  0.000049  0.250070  0.498062  1
  W  W9  1  0.083333  0.375074  0.498538  1
  W  W10  1  0.166924  0.499873  0.500275  1
  W  W11  1  0.249592  0.625355  0.502091  1
  W  W12  1  0.332716  0.750100  0.501600  1
  W  W13  1  0.416976  0.874767  0.499649  1
  W  W14  1  0.000147  -0.000456  0.502288  1
  W  W15  1  0.083333  0.124861  0.499363  1
  W  W16  1  0.166618  0.250069  0.498062  1
  W  W17  1  0.250072  0.375072  0.498070  1
  W  W18  1  0.333361  0.500174  0.498538  1
  W  W19  1  0.416463  0.625095  0.498871  1
  W  W20  1  0.499922  0.749750  0.498221  1
  W  W21  1  0.583333  0.874693  0.498147  1
  W  W22  1  0.166520  -0.000457  0.502287  1
  W  W23  1  0.249864  0.125001  0.498764  1
  W  W24  1  0.333278  0.250036  0.497613  1
  W  W25  1  0.416661  0.375146  0.497354  1
  W  W26  1  0.499988  0.500136  0.497646  1
  W  W27  1  0.583333  0.624937  0.497879  1
  W  W28  1  0.666744  0.749750  0.498221  1
  W  W29  1  0.749691  0.874767  0.499649  1
  W  W30  1  0.333396  0.000214  0.500027  1
  W  W31  1  0.416618  0.125034  0.498008  1
  W  W32  1  0.499989  0.250062  0.497132  1
  W  W33  1  0.583333  0.375134  0.497073  1
  W  W34  1  0.666679  0.500136  0.497646  1
  W  W35  1  0.750204  0.625095  0.498871  1
  W  W36  1  0.833951  0.750100  0.501600  1
  W  W37  1  0.915596  0.875514  0.505487  1
  W  W38  1  0.500024  -0.000148  0.498380  1
  W  W39  1  0.583333  0.124930  0.497613  1
  W  W40  1  0.666678  0.250061  0.497132  1
  W  W41  1  0.750006  0.375147  0.497353  1
  W  W42  1  0.833305  0.500174  0.498538  1
  W  W43  1  0.917075  0.625355  0.502091  1
  W  W44  1  0.666643  -0.000148  0.498380  1
  W  W45  1  0.750049  0.125034  0.498009  1
  W  W46  1  0.833388  0.250037  0.497612  1
  W  W47  1  0.916595  0.375072  0.498070  1
  W  W48  1  0.833271  0.000214  0.500027  1
  W  W49  1  0.916803  0.125001  0.498764  1
  S  S50  1  0.165427  0.913156  0.395056  1
  S  S51  1  0.083334  0.542514  0.391470  1
  S  S52  1  0.163566  0.669272  0.395176  1
  S  S53  1  0.245494  0.792613  0.394698  1
  S  S54  1  0.332477  0.916253  0.390984  1
  S  S55  1  0.083333  0.291880  0.387386  1
  S  S56  1  0.166584  0.417257  0.388093  1
  S  S57  1  0.249299  0.542877  0.389523  1
  S  S58  1  0.331939  0.667225  0.389967  1
  S  S59  1  0.415217  0.791406  0.388956  1
  S  S60  1  0.499663  0.916322  0.387781  1
  S  S61  1  0.083333  0.040426  0.390495  1
  S  S62  1  0.166396  0.166285  0.387917  1
  S  S63  1  0.249811  0.291765  0.387130  1
  S  S64  1  0.333060  0.417128  0.387183  1
  S  S65  1  0.416258  0.542091  0.387492  1
  S  S66  1  0.499550  0.666569  0.387387  1
  S  S67  1  0.583333  0.791361  0.387253  1
  S  S68  1  0.667004  0.916322  0.387781  1
  S  S69  1  0.249052  0.040639  0.389628  1
  S  S70  1  0.332959  0.166357  0.387383  1
  S  S71  1  0.416458  0.291726  0.386684  1
  S  S72  1  0.499869  0.416951  0.386617  1
  S  S73  1  0.583333  0.541824  0.386862  1
  S  S74  1  0.667117  0.666569  0.387387  1
  S  S75  1  0.751449  0.791405  0.388956  1
  S  S76  1  0.834189  0.916253  0.390985  1
  S  S77  1  0.416220  0.041303  0.387978  1
  S  S78  1  0.499861  0.166422  0.386891  1
  S  S79  1  0.583333  0.291720  0.386430  1
  S  S80  1  0.666798  0.416952  0.386617  1
  S  S81  1  0.750408  0.542091  0.387492  1
  S  S82  1  0.834727  0.667225  0.389967  1
  S  S83  1  0.921173  0.792613  0.394698  1
  S  S84  1  0.001240  0.913156  0.395056  1
  S  S85  1  0.583333  0.041286  0.387359  1
  S  S86  1  0.666806  0.166422  0.386891  1
  S  S87  1  0.750208  0.291725  0.386683  1
  S  S88  1  0.833607  0.417128  0.387182  1
  S  S89  1  0.917368  0.542877  0.389523  1
  S  S90  1  0.003101  0.669272  0.395176  1
  S  S91  1  0.750447  0.041303  0.387978  1
  S  S92  1  0.833707  0.166357  0.387383  1
  S  S93  1  0.916856  0.291765  0.387129  1
  S  S94  1  0.000083  0.417257  0.388093  1
  S  S95  1  0.917615  0.040639  0.389629  1
  S  S96  1  0.000271  0.166285  0.387917  1
  S  S97  1  0.083333  0.791645  0.628986  1
  S  S98  1  0.169440  0.918164  0.617018  1
  S  S99  1  0.083333  0.539007  0.612793  1
  S  S100  1  0.166975  0.663902  0.617125  1
  S  S101  1  0.252983  0.792829  0.616686  1
  S  S102  1  0.336074  0.917834  0.612248  1
  S  S103  1  0.083333  0.291617  0.608910  1
  S  S104  1  0.166981  0.415898  0.609712  1
  S  S105  1  0.250824  0.540980  0.610898  1
  S  S106  1  0.334086  0.666431  0.611313  1
  S  S107  1  0.417708  0.791333  0.610319  1
  S  S108  1  0.500735  0.916642  0.609463  1
  S  S109  1  0.083333  0.042390  0.611806  1
  S  S110  1  0.166766  0.167073  0.609406  1
  S  S111  1  0.250167  0.291648  0.608583  1
  S  S112  1  0.333655  0.416510  0.608666  1
  S  S113  1  0.417008  0.541499  0.609092  1
  S  S114  1  0.500289  0.666496  0.609058  1
  S  S115  1  0.583333  0.791337  0.608872  1
  S  S116  1  0.665932  0.916642  0.609463  1
  S  S117  1  0.250464  0.042555  0.610922  1
  S  S118  1  0.333504  0.166985  0.608806  1
  S  S119  1  0.416828  0.291769  0.607969  1
  S  S120  1  0.500116  0.416641  0.608030  1
  S  S121  1  0.583333  0.541585  0.608503  1
  S  S122  1  0.666377  0.666496  0.609057  1
  S  S123  1  0.748959  0.791332  0.610319  1
  S  S124  1  0.830593  0.917834  0.612248  1
  S  S125  1  0.417362  0.042207  0.609536  1
  S  S126  1  0.500139  0.166932  0.608208  1
  S  S127  1  0.583333  0.291788  0.607680  1
  S  S128  1  0.666551  0.416642  0.608030  1
  S  S129  1  0.749659  0.541498  0.609091  1
  S  S130  1  0.832580  0.666430  0.611313  1
  S  S131  1  0.913683  0.792828  0.616686  1
  S  S132  1  -0.002774  0.918164  0.617018  1
  S  S133  1  0.583334  0.041819  0.608801  1
  S  S134  1  0.666528  0.166933  0.608208  1
  S  S135  1  0.749839  0.291769  0.607968  1
  S  S136  1  0.833012  0.416510  0.608665  1
  S  S137  1  0.915843  0.540980  0.610898  1
  S  S138  1  -0.000308  0.663901  0.617125  1
  S  S139  1  0.749305  0.042207  0.609536  1
  S  S140  1  0.833163  0.166985  0.608806  1
  S  S141  1  0.916500  0.291648  0.608583  1
  S  S142  1  -0.000314  0.415898  0.609711  1
  S  S143  1  0.916203  0.042555  0.610922  1
  S  S144  1  -0.000099  0.167073  0.609406  1
