# generated using pymatgen
data_MnW47S96
_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   MnW47S96
_chemical_formula_sum   'Mn1 W47 S96'
_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  0.009297  0.745384  0.499996  1
  W  W2  1  0.084326  0.876796  0.499994  1
  W  W3  1  0.000056  0.498677  0.500002  1
  W  W4  1  0.085085  0.622835  0.499998  1
  W  W5  1  0.169385  0.749584  0.499994  1
  W  W6  1  0.251155  0.875703  0.499993  1
  W  W7  1  -0.000085  0.249475  0.500003  1
  W  W8  1  0.082939  0.374665  0.500003  1
  W  W9  1  0.166251  0.499350  0.500000  1
  W  W10  1  0.249602  0.625114  0.499995  1
  W  W11  1  0.333456  0.750867  0.499994  1
  W  W12  1  0.416436  0.875873  0.499995  1
  W  W13  1  -0.000306  -0.000765  0.499995  1
  W  W14  1  0.084236  0.124833  0.499999  1
  W  W15  1  0.167595  0.249028  0.500003  1
  W  W16  1  0.251081  0.374629  0.500002  1
  W  W17  1  0.333015  0.498882  0.499999  1
  W  W18  1  0.417247  0.625773  0.499995  1
  W  W19  1  0.499969  0.750058  0.499995  1
  W  W20  1  0.582966  0.876000  0.499995  1
  W  W21  1  0.167027  -0.000501  0.499996  1
  W  W22  1  0.249090  0.124363  0.500000  1
  W  W23  1  0.333916  0.249713  0.500002  1
  W  W24  1  0.415737  0.376695  0.500002  1
  W  W25  1  0.500205  0.500595  0.499997  1
  W  W26  1  0.583279  0.625897  0.499997  1
  W  W27  1  0.666158  0.751158  0.499994  1
  W  W28  1  0.748259  0.875939  0.499994  1
  W  W29  1  0.332115  -0.000630  0.499997  1
  W  W30  1  0.423368  0.129772  0.500001  1
  W  W31  1  0.499945  0.241405  0.500002  1
  W  W32  1  0.584508  0.376804  0.500003  1
  W  W33  1  0.667414  0.499148  0.500000  1
  W  W34  1  0.750959  0.625526  0.499999  1
  W  W35  1  0.831110  0.750417  0.499996  1
  W  W36  1  0.915182  0.876395  0.499994  1
  W  W37  1  0.499609  0.001067  0.499996  1
  W  W38  1  0.576526  0.129642  0.500000  1
  W  W39  1  0.665931  0.249888  0.500002  1
  W  W40  1  0.749067  0.374765  0.500003  1
  W  W41  1  0.834220  0.499615  0.500001  1
  W  W42  1  0.915535  0.622857  0.499999  1
  W  W43  1  0.667077  -0.000227  0.499996  1
  W  W44  1  0.750261  0.124613  0.499999  1
  W  W45  1  0.832288  0.249229  0.500002  1
  W  W46  1  0.917163  0.374661  0.500003  1
  W  W47  1  0.832113  -0.000006  0.499995  1
  W  W48  1  0.915401  0.124924  0.499998  1
  S  S49  1  0.083456  0.791478  0.391708  1
  S  S50  1  0.167388  0.916680  0.388459  1
  S  S51  1  0.083269  0.540496  0.388619  1
  S  S52  1  0.166816  0.666445  0.389339  1
  S  S53  1  0.250712  0.792396  0.388682  1
  S  S54  1  0.333825  0.917016  0.388285  1
  S  S55  1  0.083732  0.291026  0.389796  1
  S  S56  1  0.166892  0.415857  0.389578  1
  S  S57  1  0.249996  0.541406  0.389649  1
  S  S58  1  0.333331  0.666906  0.389668  1
  S  S59  1  0.416869  0.792263  0.389411  1
  S  S60  1  0.499666  0.917883  0.389389  1
  S  S61  1  0.083155  0.041215  0.389545  1
  S  S62  1  0.167031  0.166327  0.388633  1
  S  S63  1  0.250884  0.291106  0.389264  1
  S  S64  1  0.333071  0.416441  0.387899  1
  S  S65  1  0.416473  0.542024  0.389765  1
  S  S66  1  0.500212  0.667029  0.389024  1
  S  S67  1  0.582832  0.792450  0.389352  1
  S  S68  1  0.665556  0.917316  0.388388  1
  S  S69  1  0.249767  0.041506  0.389237  1
  S  S70  1  0.334085  0.166179  0.389672  1
  S  S71  1  0.418468  0.291515  0.390601  1
  S  S72  1  0.500128  0.417150  0.390071  1
  S  S73  1  0.583931  0.542147  0.389778  1
  S  S74  1  0.667142  0.667191  0.389685  1
  S  S75  1  0.748960  0.792670  0.388886  1
  S  S76  1  0.832024  0.917058  0.388898  1
  S  S77  1  0.416103  0.043679  0.390762  1
  S  S78  1  0.499961  0.166215  0.375801  1
  S  S79  1  0.581429  0.291623  0.390649  1
  S  S80  1  0.667200  0.416688  0.387919  1
  S  S81  1  0.750522  0.541760  0.389719  1
  S  S82  1  0.834015  0.667239  0.389716  1
  S  S83  1  0.915284  0.792274  0.390929  1
  S  S84  1  -0.000510  0.916087  0.389645  1
  S  S85  1  0.583062  0.043671  0.390625  1
  S  S86  1  0.665531  0.166437  0.389572  1
  S  S87  1  0.749043  0.291272  0.389232  1
  S  S88  1  0.833299  0.416038  0.389670  1
  S  S89  1  0.917174  0.540638  0.388374  1
  S  S90  1  0.000243  0.666449  0.391799  1
  S  S91  1  0.749447  0.041804  0.389134  1
  S  S92  1  0.832579  0.166484  0.388726  1
  S  S93  1  0.916206  0.291077  0.389721  1
  S  S94  1  0.000067  0.415843  0.388930  1
  S  S95  1  0.916252  0.041329  0.389567  1
  S  S96  1  -0.000161  0.165992  0.389905  1
  S  S97  1  0.083455  0.791478  0.608285  1
  S  S98  1  0.167386  0.916680  0.611539  1
  S  S99  1  0.083269  0.540498  0.611383  1
  S  S100  1  0.166816  0.666447  0.610660  1
  S  S101  1  0.250710  0.792395  0.611318  1
  S  S102  1  0.333824  0.917016  0.611716  1
  S  S103  1  0.083733  0.291025  0.610209  1
  S  S104  1  0.166893  0.415858  0.610428  1
  S  S105  1  0.249996  0.541407  0.610352  1
  S  S106  1  0.333331  0.666907  0.610332  1
  S  S107  1  0.416867  0.792262  0.610592  1
  S  S108  1  0.499667  0.917883  0.610612  1
  S  S109  1  0.083155  0.041213  0.610451  1
  S  S110  1  0.167030  0.166326  0.611367  1
  S  S111  1  0.250884  0.291105  0.610742  1
  S  S112  1  0.333071  0.416442  0.612107  1
  S  S113  1  0.416474  0.542024  0.610237  1
  S  S114  1  0.500210  0.667029  0.610981  1
  S  S115  1  0.582833  0.792450  0.610651  1
  S  S116  1  0.665558  0.917316  0.611612  1
  S  S117  1  0.249766  0.041504  0.610764  1
  S  S118  1  0.334084  0.166178  0.610330  1
  S  S119  1  0.418469  0.291514  0.609404  1
  S  S120  1  0.500126  0.417153  0.609936  1
  S  S121  1  0.583931  0.542147  0.610226  1
  S  S122  1  0.667142  0.667191  0.610318  1
  S  S123  1  0.748960  0.792671  0.611112  1
  S  S124  1  0.832025  0.917057  0.611097  1
  S  S125  1  0.416102  0.043678  0.609239  1
  S  S126  1  0.499961  0.166214  0.624201  1
  S  S127  1  0.581430  0.291622  0.609356  1
  S  S128  1  0.667201  0.416689  0.612090  1
  S  S129  1  0.750522  0.541760  0.610286  1
  S  S130  1  0.834016  0.667241  0.610285  1
  S  S131  1  0.915284  0.792275  0.609067  1
  S  S132  1  -0.000512  0.916086  0.610349  1
  S  S133  1  0.583062  0.043670  0.609378  1
  S  S134  1  0.665531  0.166436  0.610430  1
  S  S135  1  0.749044  0.291271  0.610771  1
  S  S136  1  0.833298  0.416039  0.610337  1
  S  S137  1  0.917174  0.540639  0.611628  1
  S  S138  1  0.000244  0.666452  0.608199  1
  S  S139  1  0.749447  0.041804  0.610867  1
  S  S140  1  0.832580  0.166483  0.611275  1
  S  S141  1  0.916206  0.291077  0.610285  1
  S  S142  1  0.000066  0.415842  0.611074  1
  S  S143  1  0.916252  0.041328  0.610431  1
  S  S144  1  -0.000161  0.165990  0.610095  1
