# 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  0.083320  0.812883  0.358208  1
  W  W2  1  0.003399  0.750865  0.507615  1
  W  W3  1  0.083334  0.874298  0.514680  1
  W  W4  1  0.000236  0.500647  0.500590  1
  W  W5  1  0.083333  0.626680  0.504152  1
  W  W6  1  0.163268  0.750866  0.507613  1
  W  W7  1  0.248097  0.873893  0.505173  1
  W  W8  1  0.000110  0.249828  0.499062  1
  W  W9  1  0.083333  0.375324  0.499535  1
  W  W10  1  0.166430  0.500647  0.500590  1
  W  W11  1  0.249440  0.625707  0.501032  1
  W  W12  1  0.331953  0.749836  0.500785  1
  W  W13  1  0.416154  0.874436  0.500384  1
  W  W14  1  0.000411  -0.000882  0.502529  1
  W  W15  1  0.083333  0.124602  0.500179  1
  W  W16  1  0.166557  0.249828  0.499062  1
  W  W17  1  0.249911  0.375100  0.498826  1
  W  W18  1  0.333010  0.500536  0.498872  1
  W  W19  1  0.416179  0.625196  0.498846  1
  W  W20  1  0.499613  0.749778  0.498899  1
  W  W21  1  0.583334  0.874578  0.499191  1
  W  W22  1  0.166256  -0.000882  0.502529  1
  W  W23  1  0.249561  0.124436  0.499487  1
  W  W24  1  0.333082  0.249822  0.498195  1
  W  W25  1  0.416375  0.375030  0.497754  1
  W  W26  1  0.500030  0.500075  0.497782  1
  W  W27  1  0.583333  0.625168  0.498153  1
  W  W28  1  0.667054  0.749778  0.498899  1
  W  W29  1  0.750513  0.874436  0.500384  1
  W  W30  1  0.332575  -0.000603  0.500803  1
  W  W31  1  0.416370  0.124403  0.498521  1
  W  W32  1  0.499957  0.249614  0.497435  1
  W  W33  1  0.583333  0.375046  0.497262  1
  W  W34  1  0.666637  0.500075  0.497782  1
  W  W35  1  0.750487  0.625196  0.498845  1
  W  W36  1  0.834714  0.749836  0.500785  1
  W  W37  1  0.918571  0.873893  0.505174  1
  W  W38  1  0.499700  -0.000710  0.499221  1
  W  W39  1  0.583333  0.124482  0.498037  1
  W  W40  1  0.666710  0.249614  0.497435  1
  W  W41  1  0.750292  0.375031  0.497754  1
  W  W42  1  0.833656  0.500536  0.498872  1
  W  W43  1  0.917226  0.625707  0.501032  1
  W  W44  1  0.666967  -0.000710  0.499221  1
  W  W45  1  0.750297  0.124403  0.498521  1
  W  W46  1  0.833585  0.249822  0.498195  1
  W  W47  1  0.916756  0.375100  0.498827  1
  W  W48  1  0.834092  -0.000603  0.500803  1
  W  W49  1  0.917106  0.124436  0.499487  1
  S  S50  1  0.164079  0.912492  0.394796  1
  S  S51  1  0.083333  0.543774  0.391253  1
  S  S52  1  0.164132  0.669672  0.393294  1
  S  S53  1  0.244646  0.791875  0.393038  1
  S  S54  1  0.330949  0.915287  0.391736  1
  S  S55  1  0.083333  0.291833  0.388603  1
  S  S56  1  0.166366  0.417557  0.389089  1
  S  S57  1  0.248941  0.542850  0.389396  1
  S  S58  1  0.332035  0.667165  0.389255  1
  S  S59  1  0.415017  0.791498  0.389281  1
  S  S60  1  0.499241  0.915858  0.388809  1
  S  S61  1  0.083334  0.040411  0.390952  1
  S  S62  1  0.166351  0.166021  0.388767  1
  S  S63  1  0.249482  0.291652  0.387994  1
  S  S64  1  0.332720  0.417183  0.387868  1
  S  S65  1  0.416084  0.542063  0.387819  1
  S  S66  1  0.499483  0.666825  0.387829  1
  S  S67  1  0.583333  0.791451  0.388300  1
  S  S68  1  0.667426  0.915858  0.388809  1
  S  S69  1  0.248836  0.040176  0.390058  1
  S  S70  1  0.332675  0.165916  0.388124  1
  S  S71  1  0.416266  0.291429  0.387207  1
  S  S72  1  0.499690  0.416777  0.386978  1
  S  S73  1  0.583333  0.541981  0.387179  1
  S  S74  1  0.667183  0.666825  0.387829  1
  S  S75  1  0.751650  0.791497  0.389280  1
  S  S76  1  0.835718  0.915287  0.391736  1
  S  S77  1  0.415688  0.040422  0.388808  1
  S  S78  1  0.499647  0.165799  0.387343  1
  S  S79  1  0.583333  0.291398  0.386815  1
  S  S80  1  0.666976  0.416777  0.386978  1
  S  S81  1  0.750582  0.542063  0.387818  1
  S  S82  1  0.834632  0.667165  0.389255  1
  S  S83  1  0.922022  0.791875  0.393037  1
  S  S84  1  0.002588  0.912492  0.394795  1
  S  S85  1  0.583333  0.040595  0.388250  1
  S  S86  1  0.667020  0.165799  0.387343  1
  S  S87  1  0.750401  0.291429  0.387207  1
  S  S88  1  0.833946  0.417183  0.387868  1
  S  S89  1  0.917726  0.542850  0.389396  1
  S  S90  1  0.002534  0.669672  0.393294  1
  S  S91  1  0.750979  0.040422  0.388808  1
  S  S92  1  0.833992  0.165916  0.388123  1
  S  S93  1  0.917184  0.291652  0.387994  1
  S  S94  1  0.000301  0.417557  0.389089  1
  S  S95  1  0.917831  0.040176  0.390058  1
  S  S96  1  0.000315  0.166021  0.388767  1
  S  S97  1  0.083334  0.791179  0.622667  1
  S  S98  1  0.168097  0.917904  0.619200  1
  S  S99  1  0.083333  0.541587  0.612482  1
  S  S100  1  0.167512  0.666956  0.615564  1
  S  S101  1  0.249772  0.790294  0.615477  1
  S  S102  1  0.333839  0.916393  0.612456  1
  S  S103  1  0.083333  0.291626  0.609814  1
  S  S104  1  0.166891  0.416638  0.610248  1
  S  S105  1  0.250278  0.541857  0.610926  1
  S  S106  1  0.333569  0.666573  0.611051  1
  S  S107  1  0.416416  0.790951  0.610669  1
  S  S108  1  0.500127  0.916140  0.610312  1
  S  S109  1  0.083333  0.041957  0.612559  1
  S  S110  1  0.166768  0.166657  0.610358  1
  S  S111  1  0.250093  0.291586  0.609295  1
  S  S112  1  0.333505  0.416771  0.609018  1
  S  S113  1  0.416887  0.541662  0.609110  1
  S  S114  1  0.500006  0.666445  0.609309  1
  S  S115  1  0.583334  0.791185  0.609596  1
  S  S116  1  0.666540  0.916139  0.610312  1
  S  S117  1  0.249906  0.041850  0.611772  1
  S  S118  1  0.333369  0.166559  0.609216  1
  S  S119  1  0.416806  0.291518  0.608232  1
  S  S120  1  0.500026  0.416578  0.608124  1
  S  S121  1  0.583333  0.541667  0.608529  1
  S  S122  1  0.666661  0.666445  0.609309  1
  S  S123  1  0.750251  0.790950  0.610669  1
  S  S124  1  0.832827  0.916392  0.612456  1
  S  S125  1  0.416721  0.041444  0.610154  1
  S  S126  1  0.499987  0.166412  0.608490  1
  S  S127  1  0.583333  0.291539  0.607771  1
  S  S128  1  0.666641  0.416578  0.608124  1
  S  S129  1  0.749780  0.541662  0.609109  1
  S  S130  1  0.833097  0.666573  0.611050  1
  S  S131  1  0.916895  0.790294  0.615478  1
  S  S132  1  -0.001429  0.917904  0.619200  1
  S  S133  1  0.583333  0.041359  0.609275  1
  S  S134  1  0.666680  0.166413  0.608490  1
  S  S135  1  0.749861  0.291518  0.608232  1
  S  S136  1  0.833161  0.416771  0.609018  1
  S  S137  1  0.916389  0.541857  0.610926  1
  S  S138  1  -0.000845  0.666955  0.615565  1
  S  S139  1  0.749946  0.041444  0.610154  1
  S  S140  1  0.833297  0.166560  0.609216  1
  S  S141  1  0.916574  0.291586  0.609295  1
  S  S142  1  -0.000224  0.416638  0.610248  1
  S  S143  1  0.916761  0.041850  0.611772  1
  S  S144  1  -0.000101  0.166657  0.610358  1
