# generated using pymatgen
data_MnW48S95
_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   MnW48S95
_chemical_formula_sum   'Mn1 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
  Mn  Mn1  1  0.083335  0.792473  0.374783  1
  W  W2  1  0.002026  0.748753  0.507419  1
  W  W3  1  0.083330  0.876141  0.510006  1
  W  W4  1  0.000033  0.499592  0.500532  1
  W  W5  1  0.083335  0.624335  0.503817  1
  W  W6  1  0.164642  0.748749  0.507424  1
  W  W7  1  0.249103  0.875392  0.503457  1
  W  W8  1  -0.000005  0.249745  0.499289  1
  W  W9  1  0.083333  0.374620  0.499590  1
  W  W10  1  0.166634  0.499592  0.500533  1
  W  W11  1  0.249052  0.625045  0.501223  1
  W  W12  1  0.331918  0.750348  0.500470  1
  W  W13  1  0.416411  0.875099  0.499444  1
  W  W14  1  -0.000114  -0.000292  0.502485  1
  W  W15  1  0.083333  0.124853  0.500331  1
  W  W16  1  0.166671  0.249745  0.499288  1
  W  W17  1  0.249962  0.374799  0.499191  1
  W  W18  1  0.333076  0.500108  0.499076  1
  W  W19  1  0.416201  0.625352  0.498759  1
  W  W20  1  0.499619  0.750263  0.498135  1
  W  W21  1  0.583333  0.875116  0.498280  1
  W  W22  1  0.166778  -0.000292  0.502484  1
  W  W23  1  0.250053  0.124824  0.499641  1
  W  W24  1  0.333330  0.249903  0.498899  1
  W  W25  1  0.416583  0.375112  0.498595  1
  W  W26  1  0.499879  0.500319  0.498305  1
  W  W27  1  0.583334  0.625343  0.497978  1
  W  W28  1  0.667048  0.750263  0.498136  1
  W  W29  1  0.750255  0.875099  0.499445  1
  W  W30  1  0.333370  0.000020  0.500334  1
  W  W31  1  0.416729  0.124997  0.499005  1
  W  W32  1  0.500004  0.250104  0.498572  1
  W  W33  1  0.583333  0.375231  0.498373  1
  W  W34  1  0.666788  0.500320  0.498305  1
  W  W35  1  0.750466  0.625352  0.498759  1
  W  W36  1  0.834749  0.750349  0.500470  1
  W  W37  1  0.917563  0.875394  0.503458  1
  W  W38  1  0.500003  0.000037  0.498852  1
  W  W39  1  0.583333  0.125084  0.498699  1
  W  W40  1  0.666663  0.250104  0.498572  1
  W  W41  1  0.750083  0.375113  0.498595  1
  W  W42  1  0.833591  0.500109  0.499077  1
  W  W43  1  0.917616  0.625046  0.501222  1
  W  W44  1  0.666663  0.000038  0.498853  1
  W  W45  1  0.749937  0.124997  0.499006  1
  W  W46  1  0.833336  0.249904  0.498899  1
  W  W47  1  0.916705  0.374799  0.499191  1
  W  W48  1  0.833296  0.000021  0.500335  1
  W  W49  1  0.916613  0.124824  0.499642  1
  S  S50  1  0.164220  0.914161  0.393451  1
  S  S51  1  0.083334  0.542042  0.390949  1
  S  S52  1  0.163655  0.668483  0.392179  1
  S  S53  1  0.244536  0.791967  0.392900  1
  S  S54  1  0.331783  0.916264  0.390560  1
  S  S55  1  0.083333  0.291415  0.388584  1
  S  S56  1  0.166479  0.416695  0.388995  1
  S  S57  1  0.249091  0.542250  0.389486  1
  S  S58  1  0.331623  0.667178  0.389564  1
  S  S59  1  0.414944  0.791856  0.388607  1
  S  S60  1  0.499513  0.916683  0.388045  1
  S  S61  1  0.083332  0.040697  0.391175  1
  S  S62  1  0.166505  0.166140  0.388980  1
  S  S63  1  0.249820  0.291481  0.388370  1
  S  S64  1  0.332951  0.416806  0.388237  1
  S  S65  1  0.416069  0.542024  0.388019  1
  S  S66  1  0.499458  0.666939  0.387553  1
  S  S67  1  0.583334  0.791835  0.387425  1
  S  S68  1  0.667154  0.916683  0.388046  1
  S  S69  1  0.249324  0.040778  0.389932  1
  S  S70  1  0.333118  0.166370  0.388447  1
  S  S71  1  0.416480  0.291676  0.387990  1
  S  S72  1  0.499823  0.416868  0.387759  1
  S  S73  1  0.583334  0.541910  0.387461  1
  S  S74  1  0.667210  0.666939  0.387553  1
  S  S75  1  0.751722  0.791857  0.388607  1
  S  S76  1  0.834883  0.916265  0.390562  1
  S  S77  1  0.416193  0.041447  0.388609  1
  S  S78  1  0.499895  0.166641  0.388030  1
  S  S79  1  0.583333  0.291783  0.387826  1
  S  S80  1  0.666844  0.416868  0.387760  1
  S  S81  1  0.750599  0.542025  0.388019  1
  S  S82  1  0.835044  0.667179  0.389563  1
  S  S83  1  0.922130  0.791970  0.392899  1
  S  S84  1  0.002443  0.914161  0.393449  1
  S  S85  1  0.583334  0.041660  0.388025  1
  S  S86  1  0.666773  0.166642  0.388033  1
  S  S87  1  0.750184  0.291676  0.387989  1
  S  S88  1  0.833716  0.416806  0.388239  1
  S  S89  1  0.917576  0.542250  0.389485  1
  S  S90  1  0.003015  0.668485  0.392181  1
  S  S91  1  0.750472  0.041447  0.388611  1
  S  S92  1  0.833548  0.166371  0.388448  1
  S  S93  1  0.916847  0.291482  0.388370  1
  S  S94  1  0.000188  0.416695  0.388995  1
  S  S95  1  0.917342  0.040778  0.389933  1
  S  S96  1  0.000162  0.166140  0.388979  1
  S  S97  1  0.083334  0.791869  0.618180  1
  S  S98  1  0.168581  0.918096  0.616380  1
  S  S99  1  0.083334  0.539986  0.612597  1
  S  S100  1  0.166858  0.664712  0.615809  1
  S  S101  1  0.250600  0.792076  0.614457  1
  S  S102  1  0.334282  0.916953  0.611633  1
  S  S103  1  0.083333  0.291257  0.610113  1
  S  S104  1  0.166805  0.415934  0.610509  1
  S  S105  1  0.250272  0.541242  0.610854  1
  S  S106  1  0.333363  0.666836  0.610389  1
  S  S107  1  0.416620  0.791562  0.609746  1
  S  S108  1  0.500298  0.916647  0.609429  1
  S  S109  1  0.083333  0.042203  0.612189  1
  S  S110  1  0.166878  0.166697  0.610428  1
  S  S111  1  0.250112  0.291452  0.609817  1
  S  S112  1  0.333442  0.416634  0.609600  1
  S  S113  1  0.416703  0.541960  0.609281  1
  S  S114  1  0.500014  0.666972  0.608784  1
  S  S115  1  0.583333  0.791682  0.608669  1
  S  S116  1  0.666368  0.916648  0.609430  1
  S  S117  1  0.250526  0.042132  0.611435  1
  S  S118  1  0.333591  0.166754  0.609872  1
  S  S119  1  0.416745  0.291786  0.609347  1
  S  S120  1  0.500009  0.416983  0.609043  1
  S  S121  1  0.583334  0.542073  0.608792  1
  S  S122  1  0.666655  0.666971  0.608785  1
  S  S123  1  0.750047  0.791562  0.609748  1
  S  S124  1  0.832384  0.916954  0.611635  1
  S  S125  1  0.417176  0.041856  0.610102  1
  S  S126  1  0.500124  0.166846  0.609445  1
  S  S127  1  0.583333  0.291918  0.609168  1
  S  S128  1  0.666658  0.416984  0.609043  1
  S  S129  1  0.749965  0.541961  0.609281  1
  S  S130  1  0.833305  0.666837  0.610388  1
  S  S131  1  0.916068  0.792076  0.614456  1
  S  S132  1  -0.001915  0.918097  0.616382  1
  S  S133  1  0.583333  0.041760  0.609452  1
  S  S134  1  0.666543  0.166847  0.609446  1
  S  S135  1  0.749921  0.291787  0.609348  1
  S  S136  1  0.833225  0.416635  0.609600  1
  S  S137  1  0.916397  0.541243  0.610854  1
  S  S138  1  -0.000189  0.664715  0.615806  1
  S  S139  1  0.749489  0.041856  0.610103  1
  S  S140  1  0.833075  0.166757  0.609872  1
  S  S141  1  0.916554  0.291452  0.609817  1
  S  S142  1  -0.000139  0.415935  0.610509  1
  S  S143  1  0.916140  0.042133  0.611436  1
  S  S144  1  -0.000211  0.166698  0.610429  1
