# generated using pymatgen
data_MgW48S95
_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   MgW48S95
_chemical_formula_sum   'Mg1 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
  Mg  Mg1  1  0.083406  0.807786  0.352942  1
  W  W2  1  0.004131  0.749135  0.506777  1
  W  W3  1  0.083324  0.876828  0.514542  1
  W  W4  1  -0.000019  0.500183  0.500857  1
  W  W5  1  0.083336  0.625793  0.503762  1
  W  W6  1  0.162543  0.749121  0.506794  1
  W  W7  1  0.248217  0.874324  0.503747  1
  W  W8  1  0.000017  0.250120  0.499746  1
  W  W9  1  0.083333  0.375169  0.500214  1
  W  W10  1  0.166688  0.500183  0.500861  1
  W  W11  1  0.249346  0.625351  0.500524  1
  W  W12  1  0.331738  0.749810  0.499570  1
  W  W13  1  0.416183  0.874447  0.499207  1
  W  W14  1  0.000273  -0.000185  0.502547  1
  W  W15  1  0.083331  0.125218  0.500537  1
  W  W16  1  0.166648  0.250119  0.499745  1
  W  W17  1  0.249945  0.375112  0.499712  1
  W  W18  1  0.333161  0.500160  0.499366  1
  W  W19  1  0.416419  0.624941  0.498537  1
  W  W20  1  0.499519  0.749712  0.497914  1
  W  W21  1  0.583332  0.874545  0.498172  1
  W  W22  1  0.166387  -0.000187  0.502544  1
  W  W23  1  0.249871  0.124904  0.499898  1
  W  W24  1  0.333247  0.249957  0.499279  1
  W  W25  1  0.416610  0.374985  0.499050  1
  W  W26  1  0.499932  0.499956  0.498575  1
  W  W27  1  0.583334  0.624868  0.497975  1
  W  W28  1  0.667148  0.749712  0.497915  1
  W  W29  1  0.750481  0.874448  0.499209  1
  W  W30  1  0.332846  -0.000321  0.500358  1
  W  W31  1  0.416548  0.124704  0.499169  1
  W  W32  1  0.499958  0.249807  0.498915  1
  W  W33  1  0.583333  0.374906  0.498816  1
  W  W34  1  0.666735  0.499956  0.498575  1
  W  W35  1  0.750250  0.624943  0.498533  1
  W  W36  1  0.834929  0.749812  0.499568  1
  W  W37  1  0.918444  0.874328  0.503751  1
  W  W38  1  0.499832  -0.000468  0.498844  1
  W  W39  1  0.583332  0.124668  0.498795  1
  W  W40  1  0.666707  0.249808  0.498915  1
  W  W41  1  0.750057  0.374987  0.499048  1
  W  W42  1  0.833507  0.500162  0.499361  1
  W  W43  1  0.917324  0.625356  0.500515  1
  W  W44  1  0.666831  -0.000468  0.498847  1
  W  W45  1  0.750117  0.124705  0.499171  1
  W  W46  1  0.833418  0.249958  0.499279  1
  W  W47  1  0.916722  0.375114  0.499710  1
  W  W48  1  0.833817  -0.000320  0.500364  1
  W  W49  1  0.916792  0.124905  0.499902  1
  S  S50  1  0.164098  0.913862  0.394211  1
  S  S51  1  0.083335  0.542758  0.391317  1
  S  S52  1  0.163971  0.668220  0.391981  1
  S  S53  1  0.243852  0.791731  0.392124  1
  S  S54  1  0.331198  0.915745  0.390802  1
  S  S55  1  0.083333  0.291926  0.389105  1
  S  S56  1  0.166437  0.417104  0.389522  1
  S  S57  1  0.249236  0.542124  0.389476  1
  S  S58  1  0.332185  0.666717  0.388728  1
  S  S59  1  0.415024  0.791412  0.388093  1
  S  S60  1  0.499396  0.916223  0.387985  1
  S  S61  1  0.083329  0.041257  0.391241  1
  S  S62  1  0.166508  0.166587  0.389238  1
  S  S63  1  0.249807  0.291795  0.388781  1
  S  S64  1  0.333024  0.416762  0.388628  1
  S  S65  1  0.416236  0.541520  0.388007  1
  S  S66  1  0.499631  0.666401  0.387289  1
  S  S67  1  0.583333  0.791302  0.387314  1
  S  S68  1  0.667269  0.916224  0.387988  1
  S  S69  1  0.249059  0.040918  0.390103  1
  S  S70  1  0.333019  0.166418  0.388712  1
  S  S71  1  0.416489  0.291556  0.388354  1
  S  S72  1  0.499881  0.416474  0.388055  1
  S  S73  1  0.583334  0.541366  0.387553  1
  S  S74  1  0.667035  0.666403  0.387289  1
  S  S75  1  0.751641  0.791415  0.388093  1
  S  S76  1  0.835465  0.915747  0.390806  1
  S  S77  1  0.415932  0.041101  0.388748  1
  S  S78  1  0.499816  0.166357  0.388228  1
  S  S79  1  0.583333  0.291464  0.388174  1
  S  S80  1  0.666785  0.416476  0.388055  1
  S  S81  1  0.750430  0.541522  0.388003  1
  S  S82  1  0.834482  0.666720  0.388722  1
  S  S83  1  0.922810  0.791738  0.392127  1
  S  S84  1  0.002560  0.913868  0.394215  1
  S  S85  1  0.583332  0.041230  0.388119  1
  S  S86  1  0.666849  0.166358  0.388229  1
  S  S87  1  0.750176  0.291558  0.388353  1
  S  S88  1  0.833643  0.416763  0.388625  1
  S  S89  1  0.917433  0.542126  0.389467  1
  S  S90  1  0.002703  0.668226  0.391974  1
  S  S91  1  0.750732  0.041100  0.388751  1
  S  S92  1  0.833645  0.166419  0.388712  1
  S  S93  1  0.916858  0.291796  0.388781  1
  S  S94  1  0.000231  0.417104  0.389519  1
  S  S95  1  0.917602  0.040920  0.390107  1
  S  S96  1  0.000154  0.166587  0.389239  1
  S  S97  1  0.083333  0.791780  0.620333  1
  S  S98  1  0.168987  0.918552  0.618491  1
  S  S99  1  0.083333  0.541029  0.612543  1
  S  S100  1  0.167681  0.666371  0.615160  1
  S  S101  1  0.249507  0.790569  0.613710  1
  S  S102  1  0.333959  0.916314  0.611243  1
  S  S103  1  0.083332  0.291677  0.610667  1
  S  S104  1  0.166850  0.416517  0.611065  1
  S  S105  1  0.250443  0.541730  0.611003  1
  S  S106  1  0.333614  0.666715  0.609981  1
  S  S107  1  0.416251  0.790948  0.609356  1
  S  S108  1  0.500162  0.916062  0.609328  1
  S  S109  1  0.083332  0.042524  0.612481  1
  S  S110  1  0.166864  0.166985  0.610814  1
  S  S111  1  0.250152  0.291695  0.610318  1
  S  S112  1  0.333541  0.416728  0.610103  1
  S  S113  1  0.416860  0.541770  0.609561  1
  S  S114  1  0.500060  0.666561  0.608813  1
  S  S115  1  0.583333  0.791114  0.608515  1
  S  S116  1  0.666502  0.916062  0.609330  1
  S  S117  1  0.250348  0.042162  0.611595  1
  S  S118  1  0.333542  0.166672  0.610117  1
  S  S119  1  0.416764  0.291596  0.609773  1
  S  S120  1  0.500068  0.416691  0.609569  1
  S  S121  1  0.583334  0.541715  0.609097  1
  S  S122  1  0.666608  0.666561  0.608812  1
  S  S123  1  0.750416  0.790948  0.609356  1
  S  S124  1  0.832701  0.916312  0.611249  1
  S  S125  1  0.416929  0.041413  0.610086  1
  S  S126  1  0.500082  0.166414  0.609638  1
  S  S127  1  0.583333  0.291525  0.609601  1
  S  S128  1  0.666599  0.416692  0.609567  1
  S  S129  1  0.749809  0.541772  0.609560  1
  S  S130  1  0.833057  0.666717  0.609977  1
  S  S131  1  0.917163  0.790567  0.613706  1
  S  S132  1  -0.002326  0.918555  0.618500  1
  S  S133  1  0.583330  0.041243  0.609431  1
  S  S134  1  0.666582  0.166415  0.609640  1
  S  S135  1  0.749902  0.291599  0.609771  1
  S  S136  1  0.833127  0.416730  0.610101  1
  S  S137  1  0.916227  0.541738  0.610993  1
  S  S138  1  -0.001010  0.666381  0.615145  1
  S  S139  1  0.749734  0.041414  0.610089  1
  S  S140  1  0.833122  0.166674  0.610121  1
  S  S141  1  0.916513  0.291696  0.610316  1
  S  S142  1  -0.000184  0.416518  0.611064  1
  S  S143  1  0.916314  0.042165  0.611599  1
  S  S144  1  -0.000199  0.166985  0.610815  1
