# 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  0.083296  0.808827  0.366550  1
  W  W2  1  0.003490  0.750259  0.508332  1
  W  W3  1  0.083336  0.875217  0.514545  1
  W  W4  1  -0.000032  0.500428  0.500402  1
  W  W5  1  0.083333  0.626416  0.504409  1
  W  W6  1  0.163173  0.750263  0.508325  1
  W  W7  1  0.248516  0.874209  0.505310  1
  W  W8  1  0.000030  0.250046  0.498994  1
  W  W9  1  0.083334  0.375255  0.499344  1
  W  W10  1  0.166699  0.500428  0.500402  1
  W  W11  1  0.249301  0.625679  0.501182  1
  W  W12  1  0.332086  0.749819  0.501084  1
  W  W13  1  0.416331  0.874427  0.500404  1
  W  W14  1  0.000509  -0.000615  0.502957  1
  W  W15  1  0.083334  0.124787  0.500432  1
  W  W16  1  0.166638  0.250047  0.498994  1
  W  W17  1  0.249790  0.375197  0.498551  1
  W  W18  1  0.333100  0.500293  0.498609  1
  W  W19  1  0.416458  0.625046  0.498917  1
  W  W20  1  0.499531  0.749784  0.499088  1
  W  W21  1  0.583334  0.874468  0.499226  1
  W  W22  1  0.166159  -0.000614  0.502959  1
  W  W23  1  0.249652  0.124733  0.499543  1
  W  W24  1  0.333156  0.249811  0.497937  1
  W  W25  1  0.416585  0.375034  0.497347  1
  W  W26  1  0.499846  0.500069  0.497528  1
  W  W27  1  0.583333  0.624923  0.498148  1
  W  W28  1  0.667136  0.749784  0.499088  1
  W  W29  1  0.750337  0.874426  0.500403  1
  W  W30  1  0.332834  -0.000553  0.500747  1
  W  W31  1  0.416496  0.124584  0.498258  1
  W  W32  1  0.499824  0.249761  0.497031  1
  W  W33  1  0.583334  0.374875  0.496918  1
  W  W34  1  0.666820  0.500069  0.497527  1
  W  W35  1  0.750209  0.625046  0.498917  1
  W  W36  1  0.834581  0.749818  0.501084  1
  W  W37  1  0.918152  0.874207  0.505309  1
  W  W38  1  0.499714  -0.000540  0.498939  1
  W  W39  1  0.583334  0.124467  0.497557  1
  W  W40  1  0.666843  0.249761  0.497031  1
  W  W41  1  0.750082  0.375034  0.497347  1
  W  W42  1  0.833567  0.500293  0.498608  1
  W  W43  1  0.917366  0.625678  0.501183  1
  W  W44  1  0.666953  -0.000540  0.498939  1
  W  W45  1  0.750171  0.124583  0.498257  1
  W  W46  1  0.833511  0.249811  0.497936  1
  W  W47  1  0.916877  0.375196  0.498550  1
  W  W48  1  0.833834  -0.000555  0.500746  1
  W  W49  1  0.917015  0.124733  0.499542  1
  S  S50  1  0.164190  0.912912  0.395208  1
  S  S51  1  0.083334  0.543612  0.391371  1
  S  S52  1  0.164040  0.669494  0.393405  1
  S  S53  1  0.244507  0.791805  0.393742  1
  S  S54  1  0.331186  0.915328  0.391753  1
  S  S55  1  0.083334  0.291853  0.388428  1
  S  S56  1  0.166260  0.417500  0.388716  1
  S  S57  1  0.249076  0.542829  0.389304  1
  S  S58  1  0.332119  0.667130  0.389563  1
  S  S59  1  0.415055  0.791428  0.389389  1
  S  S60  1  0.499401  0.915864  0.388780  1
  S  S61  1  0.083334  0.040621  0.391318  1
  S  S62  1  0.166270  0.166215  0.388914  1
  S  S63  1  0.249554  0.291731  0.387776  1
  S  S64  1  0.332755  0.417060  0.387483  1
  S  S65  1  0.416050  0.542080  0.387533  1
  S  S66  1  0.499582  0.666825  0.387898  1
  S  S67  1  0.583333  0.791286  0.388470  1
  S  S68  1  0.667267  0.915864  0.388780  1
  S  S69  1  0.248854  0.040349  0.390417  1
  S  S70  1  0.332671  0.165973  0.387911  1
  S  S71  1  0.416171  0.291505  0.386738  1
  S  S72  1  0.499811  0.416801  0.386560  1
  S  S73  1  0.583333  0.541869  0.386961  1
  S  S74  1  0.667084  0.666825  0.387898  1
  S  S75  1  0.751612  0.791427  0.389389  1
  S  S76  1  0.835482  0.915327  0.391752  1
  S  S77  1  0.415701  0.040596  0.388592  1
  S  S78  1  0.499696  0.165952  0.386918  1
  S  S79  1  0.583334  0.291355  0.386368  1
  S  S80  1  0.666855  0.416801  0.386559  1
  S  S81  1  0.750617  0.542080  0.387532  1
  S  S82  1  0.834547  0.667128  0.389562  1
  S  S83  1  0.922162  0.791804  0.393740  1
  S  S84  1  0.002479  0.912909  0.395205  1
  S  S85  1  0.583334  0.040583  0.387809  1
  S  S86  1  0.666971  0.165952  0.386918  1
  S  S87  1  0.750496  0.291505  0.386738  1
  S  S88  1  0.833912  0.417060  0.387482  1
  S  S89  1  0.917591  0.542828  0.389303  1
  S  S90  1  0.002625  0.669492  0.393406  1
  S  S91  1  0.750966  0.040596  0.388591  1
  S  S92  1  0.833997  0.165973  0.387910  1
  S  S93  1  0.917113  0.291730  0.387776  1
  S  S94  1  0.000408  0.417499  0.388716  1
  S  S95  1  0.917814  0.040348  0.390415  1
  S  S96  1  0.000398  0.166215  0.388914  1
  S  S97  1  0.083334  0.791488  0.622550  1
  S  S98  1  0.168651  0.918191  0.619267  1
  S  S99  1  0.083333  0.541104  0.612234  1
  S  S100  1  0.167595  0.666396  0.616020  1
  S  S101  1  0.249973  0.790536  0.615518  1
  S  S102  1  0.334222  0.916518  0.612452  1
  S  S103  1  0.083334  0.291727  0.609770  1
  S  S104  1  0.166877  0.416543  0.610164  1
  S  S105  1  0.250495  0.541596  0.610746  1
  S  S106  1  0.333751  0.666378  0.610952  1
  S  S107  1  0.416537  0.791040  0.610833  1
  S  S108  1  0.500271  0.916354  0.610176  1
  S  S109  1  0.083333  0.042300  0.612925  1
  S  S110  1  0.166815  0.167014  0.610391  1
  S  S111  1  0.250284  0.291736  0.609095  1
  S  S112  1  0.333605  0.416583  0.608707  1
  S  S113  1  0.416872  0.541465  0.609039  1
  S  S114  1  0.500160  0.666321  0.609403  1
  S  S115  1  0.583334  0.791110  0.609738  1
  S  S116  1  0.666397  0.916354  0.610175  1
  S  S117  1  0.250243  0.042145  0.611658  1
  S  S118  1  0.333569  0.166723  0.609142  1
  S  S119  1  0.416817  0.291619  0.607949  1
  S  S120  1  0.500130  0.416515  0.607812  1
  S  S121  1  0.583333  0.541387  0.608350  1
  S  S122  1  0.666507  0.666321  0.609404  1
  S  S123  1  0.750130  0.791039  0.610832  1
  S  S124  1  0.832446  0.916518  0.612450  1
  S  S125  1  0.416915  0.041691  0.609939  1
  S  S126  1  0.500172  0.166591  0.608080  1
  S  S127  1  0.583334  0.291439  0.607439  1
  S  S128  1  0.666537  0.416515  0.607811  1
  S  S129  1  0.749794  0.541464  0.609039  1
  S  S130  1  0.832916  0.666378  0.610952  1
  S  S131  1  0.916691  0.790537  0.615519  1
  S  S132  1  -0.001983  0.918190  0.619264  1
  S  S133  1  0.583334  0.041487  0.608968  1
  S  S134  1  0.666497  0.166591  0.608079  1
  S  S135  1  0.749850  0.291618  0.607949  1
  S  S136  1  0.833062  0.416582  0.608706  1
  S  S137  1  0.916171  0.541593  0.610745  1
  S  S138  1  -0.000928  0.666391  0.616025  1
  S  S139  1  0.749753  0.041691  0.609937  1
  S  S140  1  0.833098  0.166723  0.609141  1
  S  S141  1  0.916384  0.291736  0.609094  1
  S  S142  1  -0.000209  0.416543  0.610164  1
  S  S143  1  0.916425  0.042144  0.611656  1
  S  S144  1  -0.000148  0.167013  0.610390  1
