# generated using pymatgen
data_OsW48S95
_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   OsW48S95
_chemical_formula_sum   'Os1 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
  Os  Os1  1  0.083333  0.791662  0.377535  1
  W  W2  1  0.000147  0.750122  0.504346  1
  W  W3  1  0.083333  0.874845  0.504340  1
  W  W4  1  -0.000145  0.500003  0.500030  1
  W  W5  1  0.083333  0.624829  0.501953  1
  W  W6  1  0.166519  0.750122  0.504346  1
  W  W7  1  0.250255  0.875092  0.501894  1
  W  W8  1  0.000048  0.249987  0.499378  1
  W  W9  1  0.083333  0.375033  0.499573  1
  W  W10  1  0.166812  0.500003  0.500031  1
  W  W11  1  0.249810  0.625168  0.500512  1
  W  W12  1  0.333148  0.750093  0.500415  1
  W  W13  1  0.416823  0.874837  0.499833  1
  W  W14  1  0.000010  -0.000240  0.500478  1
  W  W15  1  0.083333  0.124853  0.499559  1
  W  W16  1  0.166618  0.249987  0.499378  1
  W  W17  1  0.250018  0.375043  0.499521  1
  W  W18  1  0.333318  0.500152  0.499557  1
  W  W19  1  0.416567  0.625107  0.499503  1
  W  W20  1  0.499978  0.749935  0.499216  1
  W  W21  1  0.583333  0.874831  0.499314  1
  W  W22  1  0.166657  -0.000240  0.500478  1
  W  W23  1  0.249914  0.124925  0.499502  1
  W  W24  1  0.333269  0.249978  0.499514  1
  W  W25  1  0.416619  0.375102  0.499588  1
  W  W26  1  0.500006  0.500139  0.499399  1
  W  W27  1  0.583333  0.625046  0.499170  1
  W  W28  1  0.666689  0.749935  0.499216  1
  W  W29  1  0.749844  0.874837  0.499833  1
  W  W30  1  0.333324  0.000065  0.499963  1
  W  W31  1  0.416617  0.124973  0.499620  1
  W  W32  1  0.499993  0.250009  0.499736  1
  W  W33  1  0.583333  0.375099  0.499654  1
  W  W34  1  0.666661  0.500139  0.499398  1
  W  W35  1  0.750100  0.625107  0.499503  1
  W  W36  1  0.833519  0.750093  0.500415  1
  W  W37  1  0.916411  0.875092  0.501894  1
  W  W38  1  0.500001  -0.000125  0.499594  1
  W  W39  1  0.583333  0.124903  0.499709  1
  W  W40  1  0.666674  0.250010  0.499735  1
  W  W41  1  0.750048  0.375102  0.499588  1
  W  W42  1  0.833349  0.500151  0.499557  1
  W  W43  1  0.916856  0.625167  0.500513  1
  W  W44  1  0.666666  -0.000125  0.499594  1
  W  W45  1  0.750049  0.124973  0.499620  1
  W  W46  1  0.833398  0.249978  0.499514  1
  W  W47  1  0.916648  0.375043  0.499521  1
  W  W48  1  0.833343  0.000065  0.499963  1
  W  W49  1  0.916752  0.124925  0.499501  1
  S  S50  1  0.166461  0.915125  0.390915  1
  S  S51  1  0.083333  0.541943  0.390067  1
  S  S52  1  0.165263  0.667621  0.390955  1
  S  S53  1  0.248399  0.792273  0.390906  1
  S  S54  1  0.333106  0.916507  0.389923  1
  S  S55  1  0.083333  0.291736  0.388722  1
  S  S56  1  0.166672  0.416850  0.388973  1
  S  S57  1  0.249779  0.542092  0.389254  1
  S  S58  1  0.332907  0.666887  0.389301  1
  S  S59  1  0.416180  0.791592  0.388984  1
  S  S60  1  0.499899  0.916540  0.388773  1
  S  S61  1  0.083333  0.041215  0.389337  1
  S  S62  1  0.166602  0.166516  0.388751  1
  S  S63  1  0.249992  0.291695  0.388791  1
  S  S64  1  0.333304  0.416813  0.388879  1
  S  S65  1  0.416540  0.541820  0.388751  1
  S  S66  1  0.499834  0.666664  0.388498  1
  S  S67  1  0.583333  0.791582  0.388425  1
  S  S68  1  0.666768  0.916540  0.388773  1
  S  S69  1  0.249738  0.041272  0.389201  1
  S  S70  1  0.333278  0.166571  0.388862  1
  S  S71  1  0.416681  0.291689  0.389035  1
  S  S72  1  0.499984  0.416721  0.388939  1
  S  S73  1  0.583333  0.541713  0.388566  1
  S  S74  1  0.666833  0.666664  0.388498  1
  S  S75  1  0.750487  0.791592  0.388984  1
  S  S76  1  0.833561  0.916507  0.389923  1
  S  S77  1  0.416575  0.041557  0.389002  1
  S  S78  1  0.500008  0.166626  0.389084  1
  S  S79  1  0.583334  0.291688  0.389136  1
  S  S80  1  0.666683  0.416721  0.388939  1
  S  S81  1  0.750127  0.541820  0.388750  1
  S  S82  1  0.833760  0.666886  0.389301  1
  S  S83  1  0.918268  0.792273  0.390906  1
  S  S84  1  0.000206  0.915125  0.390915  1
  S  S85  1  0.583333  0.041566  0.388971  1
  S  S86  1  0.666659  0.166625  0.389084  1
  S  S87  1  0.749986  0.291689  0.389035  1
  S  S88  1  0.833362  0.416813  0.388879  1
  S  S89  1  0.916888  0.542092  0.389254  1
  S  S90  1  0.001403  0.667621  0.390955  1
  S  S91  1  0.750092  0.041557  0.389002  1
  S  S92  1  0.833389  0.166571  0.388862  1
  S  S93  1  0.916674  0.291695  0.388791  1
  S  S94  1  -0.000005  0.416850  0.388973  1
  S  S95  1  0.916928  0.041272  0.389201  1
  S  S96  1  0.000065  0.166516  0.388751  1
  S  S97  1  0.083333  0.791681  0.616032  1
  S  S98  1  0.167579  0.917261  0.613200  1
  S  S99  1  0.083333  0.540797  0.611271  1
  S  S100  1  0.166855  0.665742  0.613233  1
  S  S101  1  0.251124  0.792013  0.613195  1
  S  S102  1  0.334328  0.917032  0.611182  1
  S  S103  1  0.083333  0.291619  0.610118  1
  S  S104  1  0.166737  0.416494  0.610404  1
  S  S105  1  0.250230  0.541606  0.610698  1
  S  S106  1  0.333491  0.666658  0.610756  1
  S  S107  1  0.417029  0.791485  0.610488  1
  S  S108  1  0.500264  0.916513  0.610320  1
  S  S109  1  0.083333  0.041741  0.610748  1
  S  S110  1  0.166622  0.166663  0.610150  1
  S  S111  1  0.249916  0.291645  0.610123  1
  S  S112  1  0.333307  0.416767  0.610237  1
  S  S113  1  0.416711  0.541794  0.610192  1
  S  S114  1  0.500084  0.666692  0.610002  1
  S  S115  1  0.583333  0.791492  0.609967  1
  S  S116  1  0.666403  0.916513  0.610320  1
  S  S117  1  0.250028  0.041850  0.610623  1
  S  S118  1  0.333216  0.166650  0.610205  1
  S  S119  1  0.416559  0.291710  0.610236  1
  S  S120  1  0.499963  0.416848  0.610198  1
  S  S121  1  0.583333  0.541841  0.610017  1
  S  S122  1  0.666582  0.666692  0.610002  1
  S  S123  1  0.749637  0.791485  0.610488  1
  S  S124  1  0.832338  0.917032  0.611182  1
  S  S125  1  0.416822  0.041709  0.610421  1
  S  S126  1  0.499958  0.166609  0.610339  1
  S  S127  1  0.583334  0.291744  0.610347  1
  S  S128  1  0.666704  0.416848  0.610198  1
  S  S129  1  0.749956  0.541794  0.610192  1
  S  S130  1  0.833175  0.666658  0.610756  1
  S  S131  1  0.915543  0.792013  0.613195  1
  S  S132  1  -0.000912  0.917261  0.613200  1
  S  S133  1  0.583333  0.041506  0.610317  1
  S  S134  1  0.666708  0.166609  0.610338  1
  S  S135  1  0.750108  0.291709  0.610235  1
  S  S136  1  0.833359  0.416767  0.610237  1
  S  S137  1  0.916436  0.541605  0.610699  1
  S  S138  1  -0.000188  0.665742  0.613233  1
  S  S139  1  0.749844  0.041709  0.610421  1
  S  S140  1  0.833450  0.166650  0.610205  1
  S  S141  1  0.916751  0.291645  0.610123  1
  S  S142  1  -0.000071  0.416494  0.610404  1
  S  S143  1  0.916639  0.041850  0.610623  1
  S  S144  1  0.000044  0.166663  0.610150  1
