# 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  0.791669  0.377846  1
  W  W2  1  0.000096  0.750099  0.504515  1
  W  W3  1  0.083333  0.874896  0.504496  1
  W  W4  1  -0.000150  0.499997  0.500018  1
  W  W5  1  0.083333  0.624827  0.502042  1
  W  W6  1  0.166571  0.750099  0.504515  1
  W  W7  1  0.250257  0.875099  0.501997  1
  W  W8  1  0.000039  0.249996  0.499330  1
  W  W9  1  0.083333  0.375033  0.499519  1
  W  W10  1  0.166817  0.499997  0.500018  1
  W  W11  1  0.249825  0.625143  0.500552  1
  W  W12  1  0.333176  0.750085  0.500461  1
  W  W13  1  0.416831  0.874837  0.499804  1
  W  W14  1  -0.000002  -0.000209  0.500518  1
  W  W15  1  0.083333  0.124888  0.499545  1
  W  W16  1  0.166627  0.249996  0.499330  1
  W  W17  1  0.250018  0.375039  0.499488  1
  W  W18  1  0.333328  0.500129  0.499535  1
  W  W19  1  0.416587  0.625083  0.499475  1
  W  W20  1  0.499978  0.749925  0.499158  1
  W  W21  1  0.583333  0.874841  0.499241  1
  W  W22  1  0.166669  -0.000209  0.500518  1
  W  W23  1  0.249928  0.124944  0.499479  1
  W  W24  1  0.333281  0.249988  0.499486  1
  W  W25  1  0.416631  0.375092  0.499580  1
  W  W26  1  0.500002  0.500122  0.499370  1
  W  W27  1  0.583333  0.625027  0.499093  1
  W  W28  1  0.666689  0.749925  0.499158  1
  W  W29  1  0.749836  0.874837  0.499804  1
  W  W30  1  0.333330  0.000074  0.499954  1
  W  W31  1  0.416624  0.124979  0.499594  1
  W  W32  1  0.499997  0.250013  0.499730  1
  W  W33  1  0.583333  0.375088  0.499657  1
  W  W34  1  0.666664  0.500122  0.499370  1
  W  W35  1  0.750079  0.625084  0.499474  1
  W  W36  1  0.833490  0.750085  0.500461  1
  W  W37  1  0.916410  0.875099  0.501997  1
  W  W38  1  0.500004  -0.000124  0.499543  1
  W  W39  1  0.583333  0.124918  0.499681  1
  W  W40  1  0.666670  0.250013  0.499729  1
  W  W41  1  0.750036  0.375092  0.499580  1
  W  W42  1  0.833338  0.500130  0.499535  1
  W  W43  1  0.916841  0.625143  0.500552  1
  W  W44  1  0.666663  -0.000124  0.499543  1
  W  W45  1  0.750043  0.124979  0.499594  1
  W  W46  1  0.833386  0.249989  0.499486  1
  W  W47  1  0.916649  0.375039  0.499488  1
  W  W48  1  0.833336  0.000074  0.499954  1
  W  W49  1  0.916738  0.124944  0.499480  1
  S  S50  1  0.166435  0.915120  0.391037  1
  S  S51  1  0.083333  0.541971  0.390083  1
  S  S52  1  0.165270  0.667657  0.391078  1
  S  S53  1  0.248370  0.792262  0.391032  1
  S  S54  1  0.333077  0.916500  0.389936  1
  S  S55  1  0.083333  0.291742  0.388661  1
  S  S56  1  0.166674  0.416847  0.388935  1
  S  S57  1  0.249795  0.542091  0.389242  1
  S  S58  1  0.332913  0.666877  0.389328  1
  S  S59  1  0.416166  0.791585  0.388955  1
  S  S60  1  0.499890  0.916546  0.388711  1
  S  S61  1  0.083333  0.041225  0.389379  1
  S  S62  1  0.166611  0.166531  0.388713  1
  S  S63  1  0.250002  0.291699  0.388737  1
  S  S64  1  0.333317  0.416796  0.388839  1
  S  S65  1  0.416550  0.541793  0.388700  1
  S  S66  1  0.499833  0.666646  0.388437  1
  S  S67  1  0.583333  0.791578  0.388357  1
  S  S68  1  0.666776  0.916546  0.388711  1
  S  S69  1  0.249737  0.041287  0.389193  1
  S  S70  1  0.333289  0.166582  0.388817  1
  S  S71  1  0.416699  0.291693  0.388994  1
  S  S72  1  0.499995  0.416704  0.388895  1
  S  S73  1  0.583333  0.541673  0.388506  1
  S  S74  1  0.666834  0.666646  0.388437  1
  S  S75  1  0.750501  0.791585  0.388955  1
  S  S76  1  0.833590  0.916500  0.389936  1
  S  S77  1  0.416572  0.041565  0.388966  1
  S  S78  1  0.500008  0.166642  0.389043  1
  S  S79  1  0.583333  0.291689  0.389094  1
  S  S80  1  0.666672  0.416704  0.388895  1
  S  S81  1  0.750117  0.541794  0.388700  1
  S  S82  1  0.833754  0.666877  0.389328  1
  S  S83  1  0.918297  0.792262  0.391032  1
  S  S84  1  0.000232  0.915120  0.391037  1
  S  S85  1  0.583333  0.041581  0.388912  1
  S  S86  1  0.666659  0.166642  0.389043  1
  S  S87  1  0.749968  0.291693  0.388993  1
  S  S88  1  0.833350  0.416796  0.388840  1
  S  S89  1  0.916871  0.542091  0.389243  1
  S  S90  1  0.001397  0.667657  0.391078  1
  S  S91  1  0.750095  0.041566  0.388966  1
  S  S92  1  0.833377  0.166582  0.388817  1
  S  S93  1  0.916665  0.291698  0.388737  1
  S  S94  1  -0.000007  0.416848  0.388934  1
  S  S95  1  0.916929  0.041287  0.389193  1
  S  S96  1  0.000055  0.166530  0.388715  1
  S  S97  1  0.083333  0.791688  0.616125  1
  S  S98  1  0.167597  0.917323  0.613307  1
  S  S99  1  0.083333  0.540752  0.611285  1
  S  S100  1  0.166895  0.665707  0.613335  1
  S  S101  1  0.251184  0.792007  0.613309  1
  S  S102  1  0.334384  0.917058  0.611183  1
  S  S103  1  0.083333  0.291620  0.610085  1
  S  S104  1  0.166733  0.416482  0.610382  1
  S  S105  1  0.250260  0.541548  0.610720  1
  S  S106  1  0.333550  0.666616  0.610771  1
  S  S107  1  0.417106  0.791485  0.610492  1
  S  S108  1  0.500285  0.916516  0.610268  1
  S  S109  1  0.083333  0.041808  0.610767  1
  S  S110  1  0.166631  0.166693  0.610134  1
  S  S111  1  0.249912  0.291643  0.610103  1
  S  S112  1  0.333308  0.416752  0.610226  1
  S  S113  1  0.416730  0.541776  0.610171  1
  S  S114  1  0.500111  0.666676  0.609942  1
  S  S115  1  0.583333  0.791491  0.609882  1
  S  S116  1  0.666382  0.916516  0.610268  1
  S  S117  1  0.250066  0.041907  0.610644  1
  S  S118  1  0.333237  0.166668  0.610197  1
  S  S119  1  0.416560  0.291703  0.610250  1
  S  S120  1  0.499962  0.416847  0.610207  1
  S  S121  1  0.583333  0.541838  0.609987  1
  S  S122  1  0.666555  0.666676  0.609942  1
  S  S123  1  0.749560  0.791485  0.610492  1
  S  S124  1  0.832283  0.917058  0.611183  1
  S  S125  1  0.416841  0.041715  0.610394  1
  S  S126  1  0.499963  0.166610  0.610339  1
  S  S127  1  0.583334  0.291740  0.610375  1
  S  S128  1  0.666705  0.416847  0.610207  1
  S  S129  1  0.749936  0.541776  0.610171  1
  S  S130  1  0.833117  0.666617  0.610771  1
  S  S131  1  0.915483  0.792007  0.613309  1
  S  S132  1  -0.000931  0.917323  0.613307  1
  S  S133  1  0.583333  0.041510  0.610282  1
  S  S134  1  0.666704  0.166610  0.610339  1
  S  S135  1  0.750107  0.291703  0.610249  1
  S  S136  1  0.833359  0.416751  0.610226  1
  S  S137  1  0.916406  0.541549  0.610720  1
  S  S138  1  -0.000228  0.665708  0.613335  1
  S  S139  1  0.749826  0.041715  0.610394  1
  S  S140  1  0.833429  0.166668  0.610198  1
  S  S141  1  0.916755  0.291644  0.610103  1
  S  S142  1  -0.000067  0.416482  0.610382  1
  S  S143  1  0.916601  0.041907  0.610644  1
  S  S144  1  0.000035  0.166693  0.610135  1
