# 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  0.083317  0.809381  0.363396  1
  W  W2  1  0.003438  0.750538  0.507835  1
  W  W3  1  0.083334  0.874778  0.514261  1
  W  W4  1  0.000076  0.500561  0.500010  1
  W  W5  1  0.083333  0.626587  0.503864  1
  W  W6  1  0.163227  0.750539  0.507833  1
  W  W7  1  0.248264  0.874089  0.505244  1
  W  W8  1  0.000080  0.249995  0.498976  1
  W  W9  1  0.083334  0.375345  0.498984  1
  W  W10  1  0.166590  0.500560  0.500010  1
  W  W11  1  0.249334  0.625716  0.500886  1
  W  W12  1  0.332018  0.749800  0.501000  1
  W  W13  1  0.416226  0.874430  0.500728  1
  W  W14  1  0.000494  -0.000724  0.502880  1
  W  W15  1  0.083334  0.124711  0.500466  1
  W  W16  1  0.166587  0.249996  0.498976  1
  W  W17  1  0.249812  0.375221  0.498351  1
  W  W18  1  0.333052  0.500409  0.498462  1
  W  W19  1  0.416346  0.625102  0.498929  1
  W  W20  1  0.499521  0.749792  0.499334  1
  W  W21  1  0.583334  0.874485  0.499623  1
  W  W22  1  0.166173  -0.000724  0.502879  1
  W  W23  1  0.249575  0.124617  0.499628  1
  W  W24  1  0.333108  0.249817  0.498013  1
  W  W25  1  0.416493  0.375039  0.497387  1
  W  W26  1  0.499912  0.500080  0.497629  1
  W  W27  1  0.583333  0.624979  0.498408  1
  W  W28  1  0.667146  0.749793  0.499334  1
  W  W29  1  0.750441  0.874430  0.500728  1
  W  W30  1  0.332662  -0.000585  0.500996  1
  W  W31  1  0.416409  0.124487  0.498537  1
  W  W32  1  0.499866  0.249690  0.497241  1
  W  W33  1  0.583334  0.374925  0.497004  1
  W  W34  1  0.666755  0.500079  0.497629  1
  W  W35  1  0.750320  0.625101  0.498929  1
  W  W36  1  0.834649  0.749800  0.501001  1
  W  W37  1  0.918403  0.874089  0.505246  1
  W  W38  1  0.499661  -0.000610  0.499385  1
  W  W39  1  0.583334  0.124445  0.498023  1
  W  W40  1  0.666801  0.249690  0.497241  1
  W  W41  1  0.750174  0.375040  0.497386  1
  W  W42  1  0.833615  0.500409  0.498461  1
  W  W43  1  0.917333  0.625716  0.500886  1
  W  W44  1  0.667007  -0.000609  0.499385  1
  W  W45  1  0.750257  0.124487  0.498538  1
  W  W46  1  0.833559  0.249816  0.498012  1
  W  W47  1  0.916855  0.375221  0.498350  1
  W  W48  1  0.834005  -0.000585  0.500997  1
  W  W49  1  0.917092  0.124617  0.499628  1
  S  S50  1  0.164153  0.912813  0.394957  1
  S  S51  1  0.083333  0.543757  0.390879  1
  S  S52  1  0.164123  0.669636  0.393058  1
  S  S53  1  0.244684  0.791894  0.393395  1
  S  S54  1  0.331103  0.915311  0.391984  1
  S  S55  1  0.083334  0.291773  0.388370  1
  S  S56  1  0.166322  0.417555  0.388454  1
  S  S57  1  0.249089  0.542907  0.389053  1
  S  S58  1  0.332155  0.667177  0.389410  1
  S  S59  1  0.415065  0.791518  0.389623  1
  S  S60  1  0.499344  0.915861  0.389230  1
  S  S61  1  0.083334  0.040529  0.391308  1
  S  S62  1  0.166276  0.166111  0.388980  1
  S  S63  1  0.249537  0.291656  0.387841  1
  S  S64  1  0.332806  0.417112  0.387474  1
  S  S65  1  0.416122  0.542134  0.387631  1
  S  S66  1  0.499617  0.666878  0.388182  1
  S  S67  1  0.583334  0.791334  0.388810  1
  S  S68  1  0.667324  0.915862  0.389230  1
  S  S69  1  0.248839  0.040269  0.390448  1
  S  S70  1  0.332665  0.165877  0.388137  1
  S  S71  1  0.416216  0.291439  0.387006  1
  S  S72  1  0.499806  0.416819  0.386775  1
  S  S73  1  0.583334  0.541964  0.387218  1
  S  S74  1  0.667049  0.666879  0.388183  1
  S  S75  1  0.751602  0.791518  0.389624  1
  S  S76  1  0.835564  0.915311  0.391984  1
  S  S77  1  0.415669  0.040473  0.388981  1
  S  S78  1  0.499699  0.165822  0.387368  1
  S  S79  1  0.583333  0.291294  0.386659  1
  S  S80  1  0.666861  0.416819  0.386775  1
  S  S81  1  0.750545  0.542135  0.387630  1
  S  S82  1  0.834511  0.667177  0.389410  1
  S  S83  1  0.921983  0.791895  0.393395  1
  S  S84  1  0.002513  0.912814  0.394956  1
  S  S85  1  0.583334  0.040535  0.388377  1
  S  S86  1  0.666968  0.165822  0.387367  1
  S  S87  1  0.750451  0.291439  0.387005  1
  S  S88  1  0.833861  0.417112  0.387473  1
  S  S89  1  0.917578  0.542907  0.389052  1
  S  S90  1  0.002543  0.669636  0.393058  1
  S  S91  1  0.750998  0.040473  0.388982  1
  S  S92  1  0.834000  0.165876  0.388135  1
  S  S93  1  0.917130  0.291656  0.387842  1
  S  S94  1  0.000346  0.417555  0.388454  1
  S  S95  1  0.917828  0.040269  0.390448  1
  S  S96  1  0.000391  0.166111  0.388979  1
  S  S97  1  0.083333  0.791332  0.622387  1
  S  S98  1  0.168249  0.917994  0.619143  1
  S  S99  1  0.083333  0.541373  0.611764  1
  S  S100  1  0.167488  0.666621  0.615530  1
  S  S101  1  0.249821  0.790414  0.615417  1
  S  S102  1  0.333889  0.916428  0.612596  1
  S  S103  1  0.083334  0.291841  0.609534  1
  S  S104  1  0.166791  0.416690  0.609707  1
  S  S105  1  0.250334  0.541699  0.610456  1
  S  S106  1  0.333561  0.666388  0.610892  1
  S  S107  1  0.416345  0.790964  0.610986  1
  S  S108  1  0.500169  0.916274  0.610534  1
  S  S109  1  0.083334  0.042155  0.612871  1
  S  S110  1  0.166770  0.166950  0.610387  1
  S  S111  1  0.250194  0.291812  0.608948  1
  S  S112  1  0.333495  0.416701  0.608513  1
  S  S113  1  0.416775  0.541510  0.608937  1
  S  S114  1  0.500027  0.666320  0.609531  1
  S  S115  1  0.583334  0.791091  0.609971  1
  S  S116  1  0.666499  0.916274  0.610535  1
  S  S117  1  0.250024  0.042043  0.611832  1
  S  S118  1  0.333433  0.166684  0.609178  1
  S  S119  1  0.416755  0.291634  0.607933  1
  S  S120  1  0.500078  0.416530  0.607766  1
  S  S121  1  0.583334  0.541392  0.608472  1
  S  S122  1  0.666640  0.666320  0.609530  1
  S  S123  1  0.750323  0.790965  0.610986  1
  S  S124  1  0.832778  0.916428  0.612598  1
  S  S125  1  0.416723  0.041604  0.610226  1
  S  S126  1  0.500062  0.166565  0.608324  1
  S  S127  1  0.583334  0.291497  0.607471  1
  S  S128  1  0.666590  0.416530  0.607766  1
  S  S129  1  0.749892  0.541510  0.608938  1
  S  S130  1  0.833104  0.666387  0.610891  1
  S  S131  1  0.916844  0.790415  0.615418  1
  S  S132  1  -0.001581  0.917993  0.619143  1
  S  S133  1  0.583333  0.041425  0.609337  1
  S  S134  1  0.666605  0.166565  0.608324  1
  S  S135  1  0.749913  0.291634  0.607932  1
  S  S136  1  0.833172  0.416701  0.608513  1
  S  S137  1  0.916333  0.541698  0.610455  1
  S  S138  1  -0.000821  0.666620  0.615531  1
  S  S139  1  0.749944  0.041605  0.610227  1
  S  S140  1  0.833235  0.166685  0.609178  1
  S  S141  1  0.916473  0.291813  0.608946  1
  S  S142  1  -0.000124  0.416690  0.609706  1
  S  S143  1  0.916643  0.042043  0.611833  1
  S  S144  1  -0.000102  0.166949  0.610387  1
