# 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  0.083325  0.816332  0.353229  1
  W  W2  1  0.003082  0.751140  0.507698  1
  W  W3  1  0.083334  0.873499  0.514754  1
  W  W4  1  0.000163  0.500799  0.500421  1
  W  W5  1  0.083333  0.626984  0.504045  1
  W  W6  1  0.163585  0.751140  0.507698  1
  W  W7  1  0.248031  0.873755  0.505358  1
  W  W8  1  0.000066  0.249856  0.499160  1
  W  W9  1  0.083333  0.375309  0.499504  1
  W  W10  1  0.166504  0.500799  0.500421  1
  W  W11  1  0.249420  0.625750  0.500963  1
  W  W12  1  0.331933  0.749873  0.500874  1
  W  W13  1  0.415992  0.874339  0.500654  1
  W  W14  1  0.000488  -0.001009  0.502444  1
  W  W15  1  0.083333  0.124512  0.500204  1
  W  W16  1  0.166601  0.249856  0.499160  1
  W  W17  1  0.249845  0.375163  0.498723  1
  W  W18  1  0.333008  0.500564  0.498737  1
  W  W19  1  0.416171  0.625169  0.498894  1
  W  W20  1  0.499670  0.749740  0.499200  1
  W  W21  1  0.583334  0.874604  0.499563  1
  W  W22  1  0.166179  -0.001009  0.502444  1
  W  W23  1  0.249500  0.124378  0.499526  1
  W  W24  1  0.333069  0.249730  0.498218  1
  W  W25  1  0.416449  0.375061  0.497599  1
  W  W26  1  0.499971  0.500034  0.497681  1
  W  W27  1  0.583333  0.625188  0.498245  1
  W  W28  1  0.666997  0.749740  0.499200  1
  W  W29  1  0.750675  0.874339  0.500653  1
  W  W30  1  0.332480  -0.000684  0.500887  1
  W  W31  1  0.416308  0.124405  0.498564  1
  W  W32  1  0.499888  0.249624  0.497380  1
  W  W33  1  0.583333  0.374942  0.497137  1
  W  W34  1  0.666696  0.500034  0.497682  1
  W  W35  1  0.750496  0.625169  0.498894  1
  W  W36  1  0.834734  0.749873  0.500874  1
  W  W37  1  0.918636  0.873755  0.505358  1
  W  W38  1  0.499696  -0.000729  0.499420  1
  W  W39  1  0.583333  0.124451  0.498071  1
  W  W40  1  0.666779  0.249623  0.497380  1
  W  W41  1  0.750217  0.375061  0.497599  1
  W  W42  1  0.833659  0.500564  0.498737  1
  W  W43  1  0.917247  0.625750  0.500963  1
  W  W44  1  0.666971  -0.000729  0.499421  1
  W  W45  1  0.750359  0.124405  0.498564  1
  W  W46  1  0.833598  0.249730  0.498218  1
  W  W47  1  0.916821  0.375163  0.498724  1
  W  W48  1  0.834187  -0.000684  0.500887  1
  W  W49  1  0.917166  0.124379  0.499526  1
  S  S50  1  0.164132  0.912239  0.394772  1
  S  S51  1  0.083333  0.543962  0.391192  1
  S  S52  1  0.164193  0.669960  0.393333  1
  S  S53  1  0.244796  0.791911  0.393093  1
  S  S54  1  0.330883  0.915173  0.391906  1
  S  S55  1  0.083333  0.291785  0.388684  1
  S  S56  1  0.166340  0.417619  0.389016  1
  S  S57  1  0.248960  0.542952  0.389236  1
  S  S58  1  0.332088  0.667187  0.389331  1
  S  S59  1  0.415045  0.791475  0.389546  1
  S  S60  1  0.499203  0.915755  0.389203  1
  S  S61  1  0.083333  0.040356  0.390879  1
  S  S62  1  0.166322  0.165986  0.388869  1
  S  S63  1  0.249494  0.291618  0.388034  1
  S  S64  1  0.332730  0.417184  0.387749  1
  S  S65  1  0.416093  0.542089  0.387746  1
  S  S66  1  0.499484  0.666869  0.388019  1
  S  S67  1  0.583333  0.791455  0.388658  1
  S  S68  1  0.667467  0.915755  0.389202  1
  S  S69  1  0.248801  0.040068  0.390077  1
  S  S70  1  0.332594  0.165854  0.388135  1
  S  S71  1  0.416219  0.291369  0.387166  1
  S  S72  1  0.499726  0.416725  0.386810  1
  S  S73  1  0.583333  0.541977  0.387202  1
  S  S74  1  0.667183  0.666869  0.388019  1
  S  S75  1  0.751622  0.791475  0.389545  1
  S  S76  1  0.835784  0.915174  0.391905  1
  S  S77  1  0.415613  0.040340  0.388975  1
  S  S78  1  0.499619  0.165746  0.387379  1
  S  S79  1  0.583333  0.291297  0.386743  1
  S  S80  1  0.666940  0.416725  0.386810  1
  S  S81  1  0.750573  0.542089  0.387746  1
  S  S82  1  0.834579  0.667187  0.389331  1
  S  S83  1  0.921870  0.791911  0.393093  1
  S  S84  1  0.002535  0.912239  0.394771  1
  S  S85  1  0.583333  0.040511  0.388415  1
  S  S86  1  0.667048  0.165746  0.387379  1
  S  S87  1  0.750448  0.291369  0.387166  1
  S  S88  1  0.833937  0.417184  0.387749  1
  S  S89  1  0.917707  0.542952  0.389236  1
  S  S90  1  0.002474  0.669960  0.393333  1
  S  S91  1  0.751054  0.040340  0.388974  1
  S  S92  1  0.834072  0.165854  0.388134  1
  S  S93  1  0.917173  0.291618  0.388034  1
  S  S94  1  0.000327  0.417619  0.389017  1
  S  S95  1  0.917866  0.040068  0.390077  1
  S  S96  1  0.000345  0.165986  0.388869  1
  S  S97  1  0.083333  0.790872  0.622981  1
  S  S98  1  0.167736  0.917705  0.619128  1
  S  S99  1  0.083334  0.541786  0.612161  1
  S  S100  1  0.167530  0.667092  0.615520  1
  S  S101  1  0.249773  0.790140  0.615884  1
  S  S102  1  0.333692  0.916337  0.612663  1
  S  S103  1  0.083333  0.291656  0.609852  1
  S  S104  1  0.166887  0.416766  0.610096  1
  S  S105  1  0.250285  0.541938  0.610814  1
  S  S106  1  0.333501  0.666517  0.611055  1
  S  S107  1  0.416337  0.790865  0.610906  1
  S  S108  1  0.500015  0.916121  0.610530  1
  S  S109  1  0.083333  0.041784  0.612533  1
  S  S110  1  0.166727  0.166586  0.610399  1
  S  S111  1  0.250148  0.291644  0.609288  1
  S  S112  1  0.333544  0.416783  0.608830  1
  S  S113  1  0.416870  0.541595  0.609056  1
  S  S114  1  0.499972  0.666344  0.609451  1
  S  S115  1  0.583334  0.791145  0.609941  1
  S  S116  1  0.666652  0.916120  0.610530  1
  S  S117  1  0.249751  0.041719  0.611764  1
  S  S118  1  0.333285  0.166494  0.609278  1
  S  S119  1  0.416797  0.291537  0.608162  1
  S  S120  1  0.500055  0.416511  0.607993  1
  S  S121  1  0.583334  0.541540  0.608396  1
  S  S122  1  0.666695  0.666344  0.609450  1
  S  S123  1  0.750330  0.790865  0.610906  1
  S  S124  1  0.832974  0.916337  0.612663  1
  S  S125  1  0.416582  0.041428  0.610192  1
  S  S126  1  0.499960  0.166412  0.608456  1
  S  S127  1  0.583333  0.291489  0.607697  1
  S  S128  1  0.666612  0.416511  0.607993  1
  S  S129  1  0.749796  0.541595  0.609056  1
  S  S130  1  0.833166  0.666517  0.611056  1
  S  S131  1  0.916893  0.790140  0.615885  1
  S  S132  1  -0.001069  0.917704  0.619128  1
  S  S133  1  0.583333  0.041379  0.609393  1
  S  S134  1  0.666707  0.166412  0.608457  1
  S  S135  1  0.749870  0.291537  0.608162  1
  S  S136  1  0.833123  0.416783  0.608830  1
  S  S137  1  0.916382  0.541938  0.610814  1
  S  S138  1  -0.000864  0.667092  0.615521  1
  S  S139  1  0.750084  0.041428  0.610192  1
  S  S140  1  0.833381  0.166494  0.609278  1
  S  S141  1  0.916519  0.291644  0.609288  1
  S  S142  1  -0.000220  0.416766  0.610096  1
  S  S143  1  0.916917  0.041719  0.611764  1
  S  S144  1  -0.000060  0.166586  0.610399  1
