# 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  0.083322  0.810161  0.361441  1
  W  W2  1  0.003418  0.750667  0.507875  1
  W  W3  1  0.083334  0.874534  0.514495  1
  W  W4  1  0.000149  0.500598  0.500068  1
  W  W5  1  0.083334  0.626620  0.503887  1
  W  W6  1  0.163248  0.750668  0.507875  1
  W  W7  1  0.248177  0.874021  0.505403  1
  W  W8  1  0.000117  0.249943  0.498999  1
  W  W9  1  0.083333  0.375363  0.499096  1
  W  W10  1  0.166517  0.500598  0.500068  1
  W  W11  1  0.249382  0.625712  0.500876  1
  W  W12  1  0.332008  0.749803  0.501040  1
  W  W13  1  0.416215  0.874438  0.500699  1
  W  W14  1  0.000459  -0.000783  0.502907  1
  W  W15  1  0.083334  0.124689  0.500430  1
  W  W16  1  0.166549  0.249943  0.499000  1
  W  W17  1  0.249857  0.375173  0.498385  1
  W  W18  1  0.333033  0.500471  0.498461  1
  W  W19  1  0.416279  0.625146  0.498891  1
  W  W20  1  0.499556  0.749799  0.499326  1
  W  W21  1  0.583333  0.874516  0.499642  1
  W  W22  1  0.166207  -0.000782  0.502908  1
  W  W23  1  0.249540  0.124539  0.499665  1
  W  W24  1  0.333079  0.249832  0.498020  1
  W  W25  1  0.416421  0.375030  0.497345  1
  W  W26  1  0.499966  0.500087  0.497520  1
  W  W27  1  0.583333  0.625061  0.498294  1
  W  W28  1  0.667111  0.749800  0.499326  1
  W  W29  1  0.750452  0.874438  0.500699  1
  W  W30  1  0.332626  -0.000578  0.501005  1
  W  W31  1  0.416362  0.124451  0.498540  1
  W  W32  1  0.499892  0.249643  0.497172  1
  W  W33  1  0.583333  0.374980  0.496900  1
  W  W34  1  0.666700  0.500087  0.497520  1
  W  W35  1  0.750388  0.625146  0.498891  1
  W  W36  1  0.834659  0.749803  0.501040  1
  W  W37  1  0.918490  0.874022  0.505401  1
  W  W38  1  0.499664  -0.000648  0.499425  1
  W  W39  1  0.583333  0.124462  0.497990  1
  W  W40  1  0.666775  0.249643  0.497172  1
  W  W41  1  0.750246  0.375030  0.497345  1
  W  W42  1  0.833634  0.500470  0.498460  1
  W  W43  1  0.917284  0.625712  0.500876  1
  W  W44  1  0.667003  -0.000648  0.499425  1
  W  W45  1  0.750305  0.124451  0.498540  1
  W  W46  1  0.833588  0.249831  0.498018  1
  W  W47  1  0.916809  0.375174  0.498384  1
  W  W48  1  0.834040  -0.000579  0.501002  1
  W  W49  1  0.917127  0.124539  0.499664  1
  S  S50  1  0.164105  0.912696  0.395097  1
  S  S51  1  0.083333  0.543792  0.390860  1
  S  S52  1  0.164137  0.669712  0.393134  1
  S  S53  1  0.244702  0.791922  0.393409  1
  S  S54  1  0.331025  0.915294  0.392017  1
  S  S55  1  0.083334  0.291780  0.388426  1
  S  S56  1  0.166325  0.417553  0.388545  1
  S  S57  1  0.249023  0.542922  0.389047  1
  S  S58  1  0.332133  0.667209  0.389348  1
  S  S59  1  0.415064  0.791510  0.389616  1
  S  S60  1  0.499329  0.915844  0.389196  1
  S  S61  1  0.083334  0.040477  0.391303  1
  S  S62  1  0.166292  0.166063  0.388968  1
  S  S63  1  0.249481  0.291621  0.387832  1
  S  S64  1  0.332757  0.417158  0.387453  1
  S  S65  1  0.416092  0.542168  0.387596  1
  S  S66  1  0.499564  0.666928  0.388106  1
  S  S67  1  0.583334  0.791413  0.388791  1
  S  S68  1  0.667338  0.915844  0.389196  1
  S  S69  1  0.248808  0.040214  0.390407  1
  S  S70  1  0.332604  0.165857  0.388157  1
  S  S71  1  0.416195  0.291403  0.386951  1
  S  S72  1  0.499750  0.416814  0.386672  1
  S  S73  1  0.583333  0.542047  0.387077  1
  S  S74  1  0.667103  0.666928  0.388106  1
  S  S75  1  0.751603  0.791511  0.389616  1
  S  S76  1  0.835642  0.915295  0.392016  1
  S  S77  1  0.415659  0.040430  0.388975  1
  S  S78  1  0.499648  0.165761  0.387311  1
  S  S79  1  0.583333  0.291299  0.386586  1
  S  S80  1  0.666916  0.416814  0.386672  1
  S  S81  1  0.750574  0.542169  0.387596  1
  S  S82  1  0.834534  0.667208  0.389348  1
  S  S83  1  0.921965  0.791922  0.393407  1
  S  S84  1  0.002562  0.912695  0.395096  1
  S  S85  1  0.583333  0.040513  0.388378  1
  S  S86  1  0.667019  0.165761  0.387310  1
  S  S87  1  0.750472  0.291403  0.386950  1
  S  S88  1  0.833909  0.417158  0.387452  1
  S  S89  1  0.917644  0.542921  0.389047  1
  S  S90  1  0.002529  0.669712  0.393134  1
  S  S91  1  0.751008  0.040430  0.388973  1
  S  S92  1  0.834063  0.165857  0.388156  1
  S  S93  1  0.917186  0.291622  0.387831  1
  S  S94  1  0.000342  0.417553  0.388544  1
  S  S95  1  0.917860  0.040214  0.390406  1
  S  S96  1  0.000377  0.166064  0.388967  1
  S  S97  1  0.083334  0.791240  0.622586  1
  S  S98  1  0.168150  0.917973  0.619334  1
  S  S99  1  0.083333  0.541436  0.611893  1
  S  S100  1  0.167499  0.666680  0.615538  1
  S  S101  1  0.249848  0.790352  0.615603  1
  S  S102  1  0.333896  0.916444  0.612657  1
  S  S103  1  0.083333  0.291822  0.609636  1
  S  S104  1  0.166847  0.416692  0.609757  1
  S  S105  1  0.250309  0.541739  0.610503  1
  S  S106  1  0.333547  0.666405  0.610982  1
  S  S107  1  0.416370  0.790961  0.611002  1
  S  S108  1  0.500138  0.916246  0.610605  1
  S  S109  1  0.083334  0.042122  0.612871  1
  S  S110  1  0.166753  0.166881  0.610449  1
  S  S111  1  0.250160  0.291777  0.609008  1
  S  S112  1  0.333502  0.416732  0.608534  1
  S  S113  1  0.416821  0.541523  0.608888  1
  S  S114  1  0.500020  0.666324  0.609505  1
  S  S115  1  0.583334  0.791120  0.610038  1
  S  S116  1  0.666529  0.916246  0.610605  1
  S  S117  1  0.249993  0.041982  0.611937  1
  S  S118  1  0.333397  0.166675  0.609194  1
  S  S119  1  0.416782  0.291613  0.607915  1
  S  S120  1  0.500061  0.416547  0.607691  1
  S  S121  1  0.583333  0.541467  0.608364  1
  S  S122  1  0.666647  0.666324  0.609505  1
  S  S123  1  0.750297  0.790961  0.611002  1
  S  S124  1  0.832772  0.916444  0.612656  1
  S  S125  1  0.416719  0.041581  0.610269  1
  S  S126  1  0.500020  0.166536  0.608317  1
  S  S127  1  0.583334  0.291518  0.607392  1
  S  S128  1  0.666606  0.416546  0.607692  1
  S  S129  1  0.749845  0.541523  0.608888  1
  S  S130  1  0.833120  0.666405  0.610982  1
  S  S131  1  0.916819  0.790353  0.615604  1
  S  S132  1  -0.001483  0.917973  0.619333  1
  S  S133  1  0.583334  0.041432  0.609362  1
  S  S134  1  0.666647  0.166536  0.608316  1
  S  S135  1  0.749885  0.291613  0.607914  1
  S  S136  1  0.833164  0.416732  0.608533  1
  S  S137  1  0.916357  0.541738  0.610503  1
  S  S138  1  -0.000832  0.666679  0.615539  1
  S  S139  1  0.749948  0.041582  0.610268  1
  S  S140  1  0.833269  0.166674  0.609192  1
  S  S141  1  0.916507  0.291778  0.609006  1
  S  S142  1  -0.000181  0.416692  0.609756  1
  S  S143  1  0.916674  0.041983  0.611935  1
  S  S144  1  -0.000087  0.166881  0.610449  1
