# 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  0.083318  0.809443  0.365211  1
  W  W2  1  0.003509  0.750424  0.508318  1
  W  W3  1  0.083334  0.875064  0.514809  1
  W  W4  1  0.000002  0.500484  0.500413  1
  W  W5  1  0.083333  0.626499  0.504407  1
  W  W6  1  0.163156  0.750425  0.508315  1
  W  W7  1  0.248404  0.874177  0.505512  1
  W  W8  1  0.000037  0.250002  0.498857  1
  W  W9  1  0.083334  0.375296  0.499246  1
  W  W10  1  0.166664  0.500485  0.500413  1
  W  W11  1  0.249319  0.625719  0.501218  1
  W  W12  1  0.332090  0.749809  0.501215  1
  W  W13  1  0.416314  0.874428  0.500605  1
  W  W14  1  0.000471  -0.000654  0.503063  1
  W  W15  1  0.083334  0.124729  0.500389  1
  W  W16  1  0.166631  0.250002  0.498857  1
  W  W17  1  0.249810  0.375191  0.498437  1
  W  W18  1  0.333088  0.500344  0.498575  1
  W  W19  1  0.416421  0.625077  0.498946  1
  W  W20  1  0.499530  0.749790  0.499180  1
  W  W21  1  0.583333  0.874472  0.499355  1
  W  W22  1  0.166196  -0.000654  0.503064  1
  W  W23  1  0.249625  0.124666  0.499501  1
  W  W24  1  0.333138  0.249793  0.497776  1
  W  W25  1  0.416533  0.375026  0.497235  1
  W  W26  1  0.499867  0.500076  0.497442  1
  W  W27  1  0.583333  0.624953  0.498146  1
  W  W28  1  0.667136  0.749790  0.499180  1
  W  W29  1  0.750353  0.874428  0.500604  1
  W  W30  1  0.332791  -0.000577  0.500894  1
  W  W31  1  0.416464  0.124525  0.498203  1
  W  W32  1  0.499844  0.249719  0.496872  1
  W  W33  1  0.583334  0.374885  0.496744  1
  W  W34  1  0.666799  0.500076  0.497443  1
  W  W35  1  0.750245  0.625076  0.498946  1
  W  W36  1  0.834577  0.749809  0.501214  1
  W  W37  1  0.918263  0.874176  0.505512  1
  W  W38  1  0.499684  -0.000595  0.499049  1
  W  W39  1  0.583334  0.124446  0.497524  1
  W  W40  1  0.666824  0.249719  0.496873  1
  W  W41  1  0.750134  0.375025  0.497235  1
  W  W42  1  0.833578  0.500343  0.498576  1
  W  W43  1  0.917347  0.625718  0.501219  1
  W  W44  1  0.666983  -0.000595  0.499049  1
  W  W45  1  0.750203  0.124525  0.498203  1
  W  W46  1  0.833529  0.249793  0.497776  1
  W  W47  1  0.916856  0.375191  0.498438  1
  W  W48  1  0.833876  -0.000577  0.500893  1
  W  W49  1  0.917043  0.124666  0.499500  1
  S  S50  1  0.164159  0.912848  0.395357  1
  S  S51  1  0.083333  0.543708  0.391415  1
  S  S52  1  0.164054  0.669577  0.393444  1
  S  S53  1  0.244582  0.791860  0.393827  1
  S  S54  1  0.331122  0.915281  0.391970  1
  S  S55  1  0.083334  0.291864  0.388363  1
  S  S56  1  0.166276  0.417575  0.388709  1
  S  S57  1  0.249046  0.542903  0.389355  1
  S  S58  1  0.332093  0.667171  0.389622  1
  S  S59  1  0.415033  0.791461  0.389570  1
  S  S60  1  0.499365  0.915813  0.388949  1
  S  S61  1  0.083334  0.040490  0.391399  1
  S  S62  1  0.166266  0.166114  0.388860  1
  S  S63  1  0.249542  0.291723  0.387683  1
  S  S64  1  0.332737  0.417114  0.387462  1
  S  S65  1  0.416026  0.542137  0.387572  1
  S  S66  1  0.499565  0.666873  0.387981  1
  S  S67  1  0.583334  0.791304  0.388614  1
  S  S68  1  0.667302  0.915813  0.388949  1
  S  S69  1  0.248863  0.040251  0.390482  1
  S  S70  1  0.332640  0.165885  0.387873  1
  S  S71  1  0.416171  0.291482  0.386677  1
  S  S72  1  0.499773  0.416818  0.386527  1
  S  S73  1  0.583333  0.541925  0.386965  1
  S  S74  1  0.667102  0.666873  0.387981  1
  S  S75  1  0.751634  0.791461  0.389569  1
  S  S76  1  0.835545  0.915280  0.391969  1
  S  S77  1  0.415668  0.040485  0.388683  1
  S  S78  1  0.499682  0.165869  0.386890  1
  S  S79  1  0.583334  0.291329  0.386256  1
  S  S80  1  0.666893  0.416818  0.386528  1
  S  S81  1  0.750641  0.542137  0.387572  1
  S  S82  1  0.834574  0.667171  0.389622  1
  S  S83  1  0.922086  0.791859  0.393827  1
  S  S84  1  0.002509  0.912847  0.395355  1
  S  S85  1  0.583334  0.040488  0.387946  1
  S  S86  1  0.666986  0.165869  0.386890  1
  S  S87  1  0.750495  0.291482  0.386677  1
  S  S88  1  0.833930  0.417114  0.387461  1
  S  S89  1  0.917621  0.542903  0.389356  1
  S  S90  1  0.002612  0.669576  0.393445  1
  S  S91  1  0.751000  0.040484  0.388683  1
  S  S92  1  0.834028  0.165885  0.387872  1
  S  S93  1  0.917125  0.291723  0.387684  1
  S  S94  1  0.000391  0.417576  0.388710  1
  S  S95  1  0.917805  0.040251  0.390481  1
  S  S96  1  0.000401  0.166114  0.388860  1
  S  S97  1  0.083333  0.791420  0.622768  1
  S  S98  1  0.168512  0.918187  0.619501  1
  S  S99  1  0.083333  0.541207  0.612232  1
  S  S100  1  0.167563  0.666523  0.615996  1
  S  S101  1  0.249931  0.790486  0.615649  1
  S  S102  1  0.334150  0.916513  0.612621  1
  S  S103  1  0.083333  0.291706  0.609536  1
  S  S104  1  0.166889  0.416546  0.610023  1
  S  S105  1  0.250492  0.541630  0.610737  1
  S  S106  1  0.333737  0.666361  0.611042  1
  S  S107  1  0.416539  0.791026  0.610985  1
  S  S108  1  0.500266  0.916338  0.610322  1
  S  S109  1  0.083333  0.042282  0.612955  1
  S  S110  1  0.166802  0.166983  0.610278  1
  S  S111  1  0.250280  0.291712  0.608899  1
  S  S112  1  0.333590  0.416602  0.608580  1
  S  S113  1  0.416886  0.541472  0.608961  1
  S  S114  1  0.500149  0.666309  0.609401  1
  S  S115  1  0.583333  0.791105  0.609811  1
  S  S116  1  0.666401  0.916338  0.610322  1
  S  S117  1  0.250224  0.042150  0.611772  1
  S  S118  1  0.333547  0.166708  0.608977  1
  S  S119  1  0.416798  0.291590  0.607711  1
  S  S120  1  0.500124  0.416498  0.607600  1
  S  S121  1  0.583333  0.541375  0.608235  1
  S  S122  1  0.666517  0.666310  0.609402  1
  S  S123  1  0.750128  0.791026  0.610986  1
  S  S124  1  0.832517  0.916513  0.612621  1
  S  S125  1  0.416884  0.041687  0.609989  1
  S  S126  1  0.500138  0.166577  0.607926  1
  S  S127  1  0.583334  0.291438  0.607173  1
  S  S128  1  0.666543  0.416498  0.607601  1
  S  S129  1  0.749781  0.541472  0.608961  1
  S  S130  1  0.832930  0.666360  0.611042  1
  S  S131  1  0.916734  0.790487  0.615650  1
  S  S132  1  -0.001845  0.918187  0.619500  1
  S  S133  1  0.583334  0.041492  0.608947  1
  S  S134  1  0.666530  0.166577  0.607926  1
  S  S135  1  0.749869  0.291589  0.607712  1
  S  S136  1  0.833077  0.416601  0.608580  1
  S  S137  1  0.916175  0.541628  0.610738  1
  S  S138  1  -0.000897  0.666521  0.615997  1
  S  S139  1  0.749783  0.041687  0.609989  1
  S  S140  1  0.833121  0.166707  0.608976  1
  S  S141  1  0.916385  0.291712  0.608900  1
  S  S142  1  -0.000223  0.416546  0.610023  1
  S  S143  1  0.916444  0.042150  0.611772  1
  S  S144  1  -0.000135  0.166983  0.610278  1
