# 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  0.083333  0.791666  0.375719  1
  W  W2  1  0.000980  0.750456  0.509078  1
  W  W3  1  0.083333  0.874031  0.509140  1
  W  W4  1  0.000003  0.500166  0.500430  1
  W  W5  1  0.083333  0.625589  0.504368  1
  W  W6  1  0.165687  0.750456  0.509078  1
  W  W7  1  0.249362  0.874682  0.504131  1
  W  W8  1  0.000058  0.249867  0.498809  1
  W  W9  1  0.083333  0.375028  0.499197  1
  W  W10  1  0.166664  0.500166  0.500430  1
  W  W11  1  0.249326  0.625582  0.501561  1
  W  W12  1  0.332426  0.750226  0.501305  1
  W  W13  1  0.416496  0.874880  0.500059  1
  W  W14  1  0.000260  -0.000789  0.501825  1
  W  W15  1  0.083333  0.124694  0.499749  1
  W  W16  1  0.166608  0.249867  0.498808  1
  W  W17  1  0.249889  0.375035  0.498704  1
  W  W18  1  0.333070  0.500277  0.498911  1
  W  W19  1  0.416388  0.625194  0.499099  1
  W  W20  1  0.499730  0.750066  0.498797  1
  W  W21  1  0.583333  0.874978  0.498854  1
  W  W22  1  0.166407  -0.000789  0.501825  1
  W  W23  1  0.249817  0.124685  0.499329  1
  W  W24  1  0.333206  0.249938  0.498295  1
  W  W25  1  0.416554  0.375104  0.497917  1
  W  W26  1  0.499893  0.500157  0.498022  1
  W  W27  1  0.583333  0.625155  0.498284  1
  W  W28  1  0.666936  0.750066  0.498797  1
  W  W29  1  0.750170  0.874880  0.500058  1
  W  W30  1  0.333110  -0.000120  0.500347  1
  W  W31  1  0.416571  0.124920  0.498645  1
  W  W32  1  0.499949  0.250022  0.497764  1
  W  W33  1  0.583333  0.375109  0.497579  1
  W  W34  1  0.666773  0.500157  0.498022  1
  W  W35  1  0.750278  0.625194  0.499098  1
  W  W36  1  0.834240  0.750226  0.501305  1
  W  W37  1  0.917304  0.874682  0.504130  1
  W  W38  1  0.499910  -0.000079  0.499008  1
  W  W39  1  0.583333  0.124987  0.498251  1
  W  W40  1  0.666718  0.250022  0.497764  1
  W  W41  1  0.750113  0.375104  0.497917  1
  W  W42  1  0.833597  0.500276  0.498910  1
  W  W43  1  0.917341  0.625582  0.501561  1
  W  W44  1  0.666757  -0.000079  0.499008  1
  W  W45  1  0.750096  0.124920  0.498645  1
  W  W46  1  0.833461  0.249938  0.498295  1
  W  W47  1  0.916778  0.375035  0.498704  1
  W  W48  1  0.833557  -0.000120  0.500348  1
  W  W49  1  0.916850  0.124685  0.499329  1
  S  S50  1  0.164729  0.913294  0.393620  1
  S  S51  1  0.083333  0.543063  0.391279  1
  S  S52  1  0.164086  0.669755  0.393605  1
  S  S53  1  0.245490  0.791993  0.393423  1
  S  S54  1  0.331843  0.915970  0.391001  1
  S  S55  1  0.083333  0.291720  0.388193  1
  S  S56  1  0.166416  0.417249  0.388693  1
  S  S57  1  0.249147  0.542799  0.389529  1
  S  S58  1  0.332031  0.667278  0.389946  1
  S  S59  1  0.415234  0.791668  0.389239  1
  S  S60  1  0.499501  0.916450  0.388527  1
  S  S61  1  0.083333  0.040499  0.390440  1
  S  S62  1  0.166463  0.166157  0.388541  1
  S  S63  1  0.249699  0.291663  0.387852  1
  S  S64  1  0.332873  0.417051  0.387789  1
  S  S65  1  0.416112  0.542089  0.387920  1
  S  S66  1  0.499542  0.666877  0.387948  1
  S  S67  1  0.583333  0.791687  0.388088  1
  S  S68  1  0.667165  0.916450  0.388527  1
  S  S69  1  0.249156  0.040567  0.389736  1
  S  S70  1  0.332913  0.166244  0.388064  1
  S  S71  1  0.416363  0.291640  0.387245  1
  S  S72  1  0.499801  0.416887  0.387080  1
  S  S73  1  0.583333  0.541929  0.387371  1
  S  S74  1  0.667124  0.666877  0.387948  1
  S  S75  1  0.751433  0.791668  0.389239  1
  S  S76  1  0.834823  0.915970  0.391001  1
  S  S77  1  0.416079  0.041197  0.388606  1
  S  S78  1  0.499801  0.166393  0.387477  1
  S  S79  1  0.583333  0.291658  0.386950  1
  S  S80  1  0.666866  0.416887  0.387080  1
  S  S81  1  0.750555  0.542089  0.387919  1
  S  S82  1  0.834636  0.667278  0.389945  1
  S  S83  1  0.921177  0.791993  0.393423  1
  S  S84  1  0.001937  0.913294  0.393619  1
  S  S85  1  0.583333  0.041363  0.388055  1
  S  S86  1  0.666866  0.166393  0.387476  1
  S  S87  1  0.750304  0.291640  0.387244  1
  S  S88  1  0.833793  0.417050  0.387789  1
  S  S89  1  0.917520  0.542798  0.389529  1
  S  S90  1  0.002580  0.669755  0.393605  1
  S  S91  1  0.750588  0.041198  0.388606  1
  S  S92  1  0.833754  0.166245  0.388063  1
  S  S93  1  0.916968  0.291663  0.387852  1
  S  S94  1  0.000251  0.417249  0.388693  1
  S  S95  1  0.917510  0.040568  0.389736  1
  S  S96  1  0.000204  0.166157  0.388541  1
  S  S97  1  0.083333  0.791639  0.620277  1
  S  S98  1  0.167763  0.917491  0.616292  1
  S  S99  1  0.083333  0.540679  0.612268  1
  S  S100  1  0.167105  0.665419  0.616287  1
  S  S101  1  0.251500  0.791974  0.616053  1
  S  S102  1  0.334320  0.917041  0.611988  1
  S  S103  1  0.083334  0.291504  0.609621  1
  S  S104  1  0.166830  0.416262  0.610137  1
  S  S105  1  0.250370  0.541482  0.610901  1
  S  S106  1  0.333690  0.666583  0.611098  1
  S  S107  1  0.417032  0.791504  0.610573  1
  S  S108  1  0.500333  0.916692  0.609932  1
  S  S109  1  0.083333  0.041898  0.611629  1
  S  S110  1  0.166717  0.166744  0.609967  1
  S  S111  1  0.250097  0.291591  0.609248  1
  S  S112  1  0.333484  0.416615  0.609112  1
  S  S113  1  0.416819  0.541614  0.609301  1
  S  S114  1  0.500140  0.666664  0.609308  1
  S  S115  1  0.583333  0.791570  0.609334  1
  S  S116  1  0.666333  0.916692  0.609932  1
  S  S117  1  0.250078  0.041924  0.611108  1
  S  S118  1  0.333396  0.166792  0.609383  1
  S  S119  1  0.416750  0.291742  0.608603  1
  S  S120  1  0.500056  0.416675  0.608458  1
  S  S121  1  0.583333  0.541676  0.608732  1
  S  S122  1  0.666527  0.666664  0.609308  1
  S  S123  1  0.749635  0.791504  0.610572  1
  S  S124  1  0.832347  0.917041  0.611987  1
  S  S125  1  0.416968  0.041946  0.609995  1
  S  S126  1  0.500078  0.166891  0.608856  1
  S  S127  1  0.583333  0.291784  0.608324  1
  S  S128  1  0.666611  0.416675  0.608458  1
  S  S129  1  0.749848  0.541614  0.609301  1
  S  S130  1  0.832977  0.666582  0.611098  1
  S  S131  1  0.915166  0.791974  0.616052  1
  S  S132  1  -0.001097  0.917491  0.616292  1
  S  S133  1  0.583333  0.041858  0.609360  1
  S  S134  1  0.666589  0.166891  0.608856  1
  S  S135  1  0.749917  0.291741  0.608603  1
  S  S136  1  0.833183  0.416615  0.609112  1
  S  S137  1  0.916297  0.541482  0.610901  1
  S  S138  1  -0.000438  0.665418  0.616287  1
  S  S139  1  0.749699  0.041946  0.609995  1
  S  S140  1  0.833271  0.166793  0.609384  1
  S  S141  1  0.916570  0.291591  0.609248  1
  S  S142  1  -0.000163  0.416262  0.610137  1
  S  S143  1  0.916589  0.041924  0.611109  1
  S  S144  1  -0.000050  0.166744  0.609967  1
