# 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  0.083323  0.809066  0.367825  1
  W  W2  1  0.003540  0.750151  0.508318  1
  W  W3  1  0.083334  0.875516  0.514721  1
  W  W4  1  -0.000035  0.500371  0.500653  1
  W  W5  1  0.083333  0.626392  0.504513  1
  W  W6  1  0.163126  0.750153  0.508317  1
  W  W7  1  0.248617  0.874243  0.505220  1
  W  W8  1  0.000017  0.250042  0.499158  1
  W  W9  1  0.083334  0.375248  0.499553  1
  W  W10  1  0.166702  0.500372  0.500653  1
  W  W11  1  0.249285  0.625640  0.501291  1
  W  W12  1  0.332074  0.749833  0.500945  1
  W  W13  1  0.416271  0.874402  0.500223  1
  W  W14  1  0.000532  -0.000580  0.503066  1
  W  W15  1  0.083333  0.124826  0.500550  1
  W  W16  1  0.166650  0.250042  0.499158  1
  W  W17  1  0.249869  0.375181  0.498709  1
  W  W18  1  0.333155  0.500276  0.498768  1
  W  W19  1  0.416429  0.624992  0.498894  1
  W  W20  1  0.499571  0.749738  0.498842  1
  W  W21  1  0.583333  0.874468  0.498917  1
  W  W22  1  0.166135  -0.000580  0.503066  1
  W  W23  1  0.249761  0.124752  0.499516  1
  W  W24  1  0.333239  0.249850  0.497893  1
  W  W25  1  0.416625  0.375015  0.497420  1
  W  W26  1  0.499885  0.500034  0.497657  1
  W  W27  1  0.583333  0.624890  0.498128  1
  W  W28  1  0.667096  0.749738  0.498842  1
  W  W29  1  0.750396  0.874402  0.500223  1
  W  W30  1  0.332887  -0.000523  0.500652  1
  W  W31  1  0.416533  0.124597  0.498100  1
  W  W32  1  0.499879  0.249787  0.496915  1
  W  W33  1  0.583333  0.374914  0.496902  1
  W  W34  1  0.666782  0.500034  0.497657  1
  W  W35  1  0.750237  0.624991  0.498894  1
  W  W36  1  0.834593  0.749833  0.500945  1
  W  W37  1  0.918050  0.874243  0.505220  1
  W  W38  1  0.499783  -0.000530  0.498751  1
  W  W39  1  0.583334  0.124529  0.497443  1
  W  W40  1  0.666788  0.249787  0.496914  1
  W  W41  1  0.750042  0.375015  0.497420  1
  W  W42  1  0.833512  0.500276  0.498768  1
  W  W43  1  0.917382  0.625639  0.501291  1
  W  W44  1  0.666884  -0.000530  0.498751  1
  W  W45  1  0.750134  0.124597  0.498099  1
  W  W46  1  0.833428  0.249850  0.497892  1
  W  W47  1  0.916797  0.375181  0.498709  1
  W  W48  1  0.833780  -0.000523  0.500652  1
  W  W49  1  0.916906  0.124752  0.499516  1
  S  S50  1  0.164182  0.912981  0.395231  1
  S  S51  1  0.083333  0.543535  0.391594  1
  S  S52  1  0.164033  0.669391  0.393396  1
  S  S53  1  0.244389  0.791787  0.393664  1
  S  S54  1  0.331191  0.915387  0.391599  1
  S  S55  1  0.083333  0.291885  0.388584  1
  S  S56  1  0.166292  0.417476  0.388894  1
  S  S57  1  0.249062  0.542734  0.389497  1
  S  S58  1  0.332063  0.667055  0.389533  1
  S  S59  1  0.415040  0.791385  0.389185  1
  S  S60  1  0.499335  0.915866  0.388571  1
  S  S61  1  0.083333  0.040679  0.391423  1
  S  S62  1  0.166284  0.166242  0.388991  1
  S  S63  1  0.249546  0.291755  0.387825  1
  S  S64  1  0.332793  0.417072  0.387563  1
  S  S65  1  0.416091  0.541989  0.387566  1
  S  S66  1  0.499566  0.666686  0.387791  1
  S  S67  1  0.583333  0.791240  0.388132  1
  S  S68  1  0.667332  0.915866  0.388571  1
  S  S69  1  0.248827  0.040361  0.390414  1
  S  S70  1  0.332720  0.166027  0.387746  1
  S  S71  1  0.416231  0.291564  0.386606  1
  S  S72  1  0.499792  0.416825  0.386533  1
  S  S73  1  0.583333  0.541806  0.387000  1
  S  S74  1  0.667101  0.666685  0.387791  1
  S  S75  1  0.751626  0.791385  0.389185  1
  S  S76  1  0.835476  0.915387  0.391599  1
  S  S77  1  0.415744  0.040603  0.388416  1
  S  S78  1  0.499728  0.166004  0.386720  1
  S  S79  1  0.583333  0.291445  0.386173  1
  S  S80  1  0.666875  0.416825  0.386533  1
  S  S81  1  0.750576  0.541989  0.387566  1
  S  S82  1  0.834603  0.667054  0.389533  1
  S  S83  1  0.922279  0.791786  0.393664  1
  S  S84  1  0.002486  0.912980  0.395230  1
  S  S85  1  0.583333  0.040677  0.387589  1
  S  S86  1  0.666939  0.166004  0.386719  1
  S  S87  1  0.750436  0.291564  0.386606  1
  S  S88  1  0.833874  0.417072  0.387563  1
  S  S89  1  0.917605  0.542733  0.389498  1
  S  S90  1  0.002633  0.669390  0.393396  1
  S  S91  1  0.750923  0.040603  0.388416  1
  S  S92  1  0.833947  0.166027  0.387746  1
  S  S93  1  0.917121  0.291755  0.387825  1
  S  S94  1  0.000375  0.417476  0.388894  1
  S  S95  1  0.917840  0.040361  0.390414  1
  S  S96  1  0.000383  0.166243  0.388991  1
  S  S97  1  0.083333  0.791584  0.622490  1
  S  S98  1  0.168904  0.918241  0.619354  1
  S  S99  1  0.083334  0.541113  0.612442  1
  S  S100  1  0.167595  0.666367  0.616122  1
  S  S101  1  0.249988  0.790578  0.615392  1
  S  S102  1  0.334267  0.916547  0.612365  1
  S  S103  1  0.083333  0.291711  0.609979  1
  S  S104  1  0.166929  0.416467  0.610401  1
  S  S105  1  0.250554  0.541559  0.610942  1
  S  S106  1  0.333770  0.666416  0.610907  1
  S  S107  1  0.416608  0.790997  0.610635  1
  S  S108  1  0.500287  0.916322  0.609925  1
  S  S109  1  0.083333  0.042334  0.613069  1
  S  S110  1  0.166915  0.166978  0.610478  1
  S  S111  1  0.250398  0.291693  0.609224  1
  S  S112  1  0.333706  0.416570  0.608893  1
  S  S113  1  0.416945  0.541477  0.609182  1
  S  S114  1  0.500137  0.666336  0.609319  1
  S  S115  1  0.583333  0.791132  0.609453  1
  S  S116  1  0.666380  0.916322  0.609925  1
  S  S117  1  0.250333  0.042184  0.611632  1
  S  S118  1  0.333697  0.166743  0.609072  1
  S  S119  1  0.416911  0.291580  0.608006  1
  S  S120  1  0.500166  0.416475  0.607966  1
  S  S121  1  0.583333  0.541399  0.608517  1
  S  S122  1  0.666530  0.666335  0.609319  1
  S  S123  1  0.750059  0.790997  0.610635  1
  S  S124  1  0.832400  0.916547  0.612365  1
  S  S125  1  0.417013  0.041710  0.609800  1
  S  S126  1  0.500179  0.166621  0.608014  1
  S  S127  1  0.583333  0.291474  0.607411  1
  S  S128  1  0.666501  0.416474  0.607966  1
  S  S129  1  0.749721  0.541477  0.609182  1
  S  S130  1  0.832896  0.666416  0.610907  1
  S  S131  1  0.916677  0.790579  0.615392  1
  S  S132  1  -0.002237  0.918241  0.619354  1
  S  S133  1  0.583334  0.041532  0.608872  1
  S  S134  1  0.666489  0.166621  0.608012  1
  S  S135  1  0.749756  0.291580  0.608006  1
  S  S136  1  0.832961  0.416570  0.608893  1
  S  S137  1  0.916113  0.541559  0.610943  1
  S  S138  1  -0.000928  0.666366  0.616124  1
  S  S139  1  0.749655  0.041710  0.609799  1
  S  S140  1  0.832970  0.166743  0.609072  1
  S  S141  1  0.916268  0.291693  0.609224  1
  S  S142  1  -0.000262  0.416466  0.610402  1
  S  S143  1  0.916333  0.042183  0.611632  1
  S  S144  1  -0.000248  0.166978  0.610478  1
