# 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  0.792083  0.383964  1
  W  W2  1  0.002676  0.751272  0.511663  1
  W  W3  1  0.083334  0.872498  0.511978  1
  W  W4  1  -0.000132  0.500052  0.500239  1
  W  W5  1  0.083333  0.624310  0.505550  1
  W  W6  1  0.163991  0.751272  0.511662  1
  W  W7  1  0.250680  0.875291  0.505202  1
  W  W8  1  0.000065  0.249888  0.498228  1
  W  W9  1  0.083333  0.375088  0.498658  1
  W  W10  1  0.166798  0.500052  0.500239  1
  W  W11  1  0.249422  0.625551  0.501774  1
  W  W12  1  0.332496  0.750204  0.501365  1
  W  W13  1  0.416752  0.874760  0.499747  1
  W  W14  1  0.000228  -0.000725  0.502050  1
  W  W15  1  0.083333  0.124427  0.499383  1
  W  W16  1  0.166601  0.249888  0.498227  1
  W  W17  1  0.249914  0.375065  0.498226  1
  W  W18  1  0.333204  0.500472  0.498540  1
  W  W19  1  0.416165  0.625353  0.498792  1
  W  W20  1  0.499773  0.749871  0.498178  1
  W  W21  1  0.583334  0.874730  0.498279  1
  W  W22  1  0.166439  -0.000725  0.502050  1
  W  W23  1  0.249637  0.124691  0.498844  1
  W  W24  1  0.333186  0.249929  0.497894  1
  W  W25  1  0.416514  0.375237  0.497623  1
  W  W26  1  0.499923  0.500301  0.497746  1
  W  W27  1  0.583333  0.625262  0.497854  1
  W  W28  1  0.666894  0.749871  0.498178  1
  W  W29  1  0.749914  0.874760  0.499747  1
  W  W30  1  0.333233  -0.000035  0.500135  1
  W  W31  1  0.416544  0.124907  0.498317  1
  W  W32  1  0.499882  0.250027  0.497573  1
  W  W33  1  0.583333  0.375298  0.497412  1
  W  W34  1  0.666744  0.500301  0.497746  1
  W  W35  1  0.750501  0.625354  0.498792  1
  W  W36  1  0.834170  0.750204  0.501366  1
  W  W37  1  0.915987  0.875291  0.505202  1
  W  W38  1  0.499874  -0.000248  0.498674  1
  W  W39  1  0.583333  0.124824  0.498033  1
  W  W40  1  0.666785  0.250027  0.497573  1
  W  W41  1  0.750153  0.375237  0.497623  1
  W  W42  1  0.833462  0.500472  0.498540  1
  W  W43  1  0.917245  0.625551  0.501775  1
  W  W44  1  0.666792  -0.000248  0.498674  1
  W  W45  1  0.750123  0.124907  0.498317  1
  W  W46  1  0.833481  0.249929  0.497894  1
  W  W47  1  0.916752  0.375065  0.498226  1
  W  W48  1  0.833434  -0.000035  0.500136  1
  W  W49  1  0.917030  0.124691  0.498845  1
  S  S50  1  0.165328  0.912881  0.394332  1
  S  S51  1  0.083333  0.542718  0.391188  1
  S  S52  1  0.163419  0.669478  0.394350  1
  S  S53  1  0.245258  0.792660  0.393918  1
  S  S54  1  0.332273  0.916112  0.390812  1
  S  S55  1  0.083333  0.291762  0.387581  1
  S  S56  1  0.166512  0.417342  0.388160  1
  S  S57  1  0.249108  0.543029  0.389292  1
  S  S58  1  0.331705  0.667432  0.389588  1
  S  S59  1  0.415047  0.791540  0.388782  1
  S  S60  1  0.499550  0.916285  0.387905  1
  S  S61  1  0.083333  0.040096  0.390117  1
  S  S62  1  0.166319  0.166022  0.388009  1
  S  S63  1  0.249733  0.291673  0.387354  1
  S  S64  1  0.332913  0.417243  0.387426  1
  S  S65  1  0.416111  0.542301  0.387529  1
  S  S66  1  0.499393  0.666777  0.387343  1
  S  S67  1  0.583333  0.791497  0.387295  1
  S  S68  1  0.667116  0.916285  0.387903  1
  S  S69  1  0.249011  0.040369  0.389474  1
  S  S70  1  0.332845  0.166158  0.387679  1
  S  S71  1  0.416377  0.291708  0.387065  1
  S  S72  1  0.499805  0.417030  0.386923  1
  S  S73  1  0.583333  0.542042  0.387013  1
  S  S74  1  0.667273  0.666777  0.387342  1
  S  S75  1  0.751620  0.791540  0.388782  1
  S  S76  1  0.834394  0.916112  0.390813  1
  S  S77  1  0.416079  0.041154  0.388181  1
  S  S78  1  0.499835  0.166340  0.387325  1
  S  S79  1  0.583334  0.291713  0.386971  1
  S  S80  1  0.666862  0.417029  0.386922  1
  S  S81  1  0.750556  0.542301  0.387529  1
  S  S82  1  0.834962  0.667433  0.389588  1
  S  S83  1  0.921409  0.792661  0.393918  1
  S  S84  1  0.001339  0.912881  0.394332  1
  S  S85  1  0.583333  0.041169  0.387722  1
  S  S86  1  0.666831  0.166340  0.387325  1
  S  S87  1  0.750290  0.291708  0.387065  1
  S  S88  1  0.833753  0.417243  0.387427  1
  S  S89  1  0.917559  0.543029  0.389292  1
  S  S90  1  0.003247  0.669478  0.394351  1
  S  S91  1  0.750588  0.041154  0.388181  1
  S  S92  1  0.833822  0.166158  0.387679  1
  S  S93  1  0.916934  0.291673  0.387354  1
  S  S94  1  0.000155  0.417342  0.388160  1
  S  S95  1  0.917656  0.040369  0.389475  1
  S  S96  1  0.000347  0.166022  0.388009  1
  S  S97  1  0.083334  0.791635  0.628692  1
  S  S98  1  0.169046  0.917825  0.616887  1
  S  S99  1  0.083333  0.539494  0.612750  1
  S  S100  1  0.166851  0.664394  0.616842  1
  S  S101  1  0.252438  0.792653  0.616480  1
  S  S102  1  0.335586  0.917540  0.612386  1
  S  S103  1  0.083334  0.291516  0.608985  1
  S  S104  1  0.166892  0.416097  0.609820  1
  S  S105  1  0.250562  0.541375  0.610930  1
  S  S106  1  0.333704  0.666667  0.611373  1
  S  S107  1  0.417351  0.791324  0.610425  1
  S  S108  1  0.500565  0.916484  0.609657  1
  S  S109  1  0.083334  0.041871  0.611919  1
  S  S110  1  0.166635  0.166732  0.609543  1
  S  S111  1  0.250012  0.291601  0.608754  1
  S  S112  1  0.333425  0.416752  0.608749  1
  S  S113  1  0.416813  0.541808  0.609105  1
  S  S114  1  0.500108  0.666685  0.609037  1
  S  S115  1  0.583333  0.791367  0.608913  1
  S  S116  1  0.666102  0.916484  0.609657  1
  S  S117  1  0.250168  0.042124  0.611092  1
  S  S118  1  0.333255  0.166736  0.608980  1
  S  S119  1  0.416624  0.291806  0.608253  1
  S  S120  1  0.499994  0.416856  0.608211  1
  S  S121  1  0.583333  0.541891  0.608447  1
  S  S122  1  0.666559  0.666685  0.609037  1
  S  S123  1  0.749316  0.791324  0.610425  1
  S  S124  1  0.831080  0.917540  0.612386  1
  S  S125  1  0.417088  0.041972  0.609804  1
  S  S126  1  0.500037  0.166814  0.608543  1
  S  S127  1  0.583333  0.291847  0.607982  1
  S  S128  1  0.666673  0.416856  0.608211  1
  S  S129  1  0.749853  0.541808  0.609105  1
  S  S130  1  0.832963  0.666667  0.611373  1
  S  S131  1  0.914229  0.792654  0.616480  1
  S  S132  1  -0.002379  0.917825  0.616888  1
  S  S133  1  0.583333  0.041608  0.609053  1
  S  S134  1  0.666630  0.166814  0.608544  1
  S  S135  1  0.750042  0.291806  0.608253  1
  S  S136  1  0.833241  0.416752  0.608749  1
  S  S137  1  0.916104  0.541375  0.610930  1
  S  S138  1  -0.000184  0.664394  0.616842  1
  S  S139  1  0.749578  0.041972  0.609804  1
  S  S140  1  0.833412  0.166736  0.608981  1
  S  S141  1  0.916655  0.291601  0.608755  1
  S  S142  1  -0.000225  0.416097  0.609820  1
  S  S143  1  0.916498  0.042124  0.611093  1
  S  S144  1  0.000032  0.166732  0.609543  1
