# 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  0.791710  0.376967  1
  W  W2  1  0.000284  0.750175  0.503793  1
  W  W3  1  0.083333  0.874746  0.503821  1
  W  W4  1  -0.000116  0.500036  0.499934  1
  W  W5  1  0.083333  0.624749  0.501413  1
  W  W6  1  0.166383  0.750175  0.503793  1
  W  W7  1  0.250303  0.875130  0.501446  1
  W  W8  1  0.000065  0.249895  0.499654  1
  W  W9  1  0.083333  0.374998  0.499830  1
  W  W10  1  0.166783  0.500035  0.499934  1
  W  W11  1  0.249742  0.625186  0.500154  1
  W  W12  1  0.333101  0.750124  0.500153  1
  W  W13  1  0.416801  0.874845  0.499860  1
  W  W14  1  0.000024  -0.000294  0.500154  1
  W  W15  1  0.083333  0.124716  0.499515  1
  W  W16  1  0.166602  0.249895  0.499654  1
  W  W17  1  0.249953  0.375068  0.499743  1
  W  W18  1  0.333246  0.500195  0.499562  1
  W  W19  1  0.416498  0.625192  0.499528  1
  W  W20  1  0.499981  0.749975  0.499385  1
  W  W21  1  0.583333  0.874857  0.499546  1
  W  W22  1  0.166643  -0.000294  0.500154  1
  W  W23  1  0.249899  0.124836  0.499533  1
  W  W24  1  0.333207  0.249942  0.499749  1
  W  W25  1  0.416562  0.375177  0.499817  1
  W  W26  1  0.499960  0.500267  0.499723  1
  W  W27  1  0.583333  0.625125  0.499494  1
  W  W28  1  0.666685  0.749975  0.499385  1
  W  W29  1  0.749866  0.874845  0.499860  1
  W  W30  1  0.333276  0.000016  0.499934  1
  W  W31  1  0.416565  0.124896  0.499792  1
  W  W32  1  0.499974  0.250036  0.499917  1
  W  W33  1  0.583333  0.375203  0.499941  1
  W  W34  1  0.666707  0.500267  0.499723  1
  W  W35  1  0.750169  0.625192  0.499528  1
  W  W36  1  0.833566  0.750124  0.500153  1
  W  W37  1  0.916364  0.875129  0.501446  1
  W  W38  1  0.499995  -0.000158  0.499814  1
  W  W39  1  0.583333  0.124887  0.499894  1
  W  W40  1  0.666693  0.250036  0.499917  1
  W  W41  1  0.750104  0.375177  0.499817  1
  W  W42  1  0.833421  0.500195  0.499562  1
  W  W43  1  0.916925  0.625186  0.500154  1
  W  W44  1  0.666672  -0.000158  0.499814  1
  W  W45  1  0.750102  0.124896  0.499792  1
  W  W46  1  0.833459  0.249942  0.499749  1
  W  W47  1  0.916714  0.375068  0.499742  1
  W  W48  1  0.833391  0.000016  0.499934  1
  W  W49  1  0.916767  0.124836  0.499533  1
  S  S50  1  0.166564  0.915165  0.390365  1
  S  S51  1  0.083333  0.541781  0.389670  1
  S  S52  1  0.165249  0.667505  0.390371  1
  S  S53  1  0.248525  0.792316  0.390414  1
  S  S54  1  0.333284  0.916552  0.389677  1
  S  S55  1  0.083333  0.291650  0.389002  1
  S  S56  1  0.166602  0.416764  0.389044  1
  S  S57  1  0.249784  0.542027  0.388958  1
  S  S58  1  0.332939  0.666890  0.388984  1
  S  S59  1  0.416311  0.791600  0.388900  1
  S  S60  1  0.499954  0.916548  0.388877  1
  S  S61  1  0.083333  0.041190  0.388940  1
  S  S62  1  0.166619  0.166489  0.388769  1
  S  S63  1  0.249911  0.291662  0.389054  1
  S  S64  1  0.333219  0.416784  0.388977  1
  S  S65  1  0.416552  0.541853  0.388793  1
  S  S66  1  0.499910  0.666709  0.388615  1
  S  S67  1  0.583333  0.791637  0.388562  1
  S  S68  1  0.666712  0.916548  0.388877  1
  S  S69  1  0.249795  0.041279  0.388940  1
  S  S70  1  0.333294  0.166546  0.388965  1
  S  S71  1  0.416607  0.291723  0.389267  1
  S  S72  1  0.499959  0.416855  0.389222  1
  S  S73  1  0.583333  0.541811  0.388893  1
  S  S74  1  0.666757  0.666709  0.388615  1
  S  S75  1  0.750356  0.791600  0.388900  1
  S  S76  1  0.833382  0.916552  0.389677  1
  S  S77  1  0.416614  0.041492  0.389038  1
  S  S78  1  0.499971  0.166601  0.389263  1
  S  S79  1  0.583333  0.291783  0.389379  1
  S  S80  1  0.666708  0.416855  0.389222  1
  S  S81  1  0.750115  0.541853  0.388793  1
  S  S82  1  0.833728  0.666890  0.388984  1
  S  S83  1  0.918142  0.792316  0.390414  1
  S  S84  1  0.000102  0.915165  0.390365  1
  S  S85  1  0.583333  0.041525  0.389113  1
  S  S86  1  0.666695  0.166601  0.389263  1
  S  S87  1  0.750059  0.291723  0.389267  1
  S  S88  1  0.833447  0.416784  0.388977  1
  S  S89  1  0.916883  0.542027  0.388958  1
  S  S90  1  0.001418  0.667505  0.390372  1
  S  S91  1  0.750053  0.041492  0.389038  1
  S  S92  1  0.833372  0.166546  0.388965  1
  S  S93  1  0.916756  0.291662  0.389054  1
  S  S94  1  0.000064  0.416764  0.389044  1
  S  S95  1  0.916872  0.041279  0.388940  1
  S  S96  1  0.000047  0.166489  0.388769  1
  S  S97  1  0.083333  0.791696  0.615648  1
  S  S98  1  0.167554  0.917184  0.612705  1
  S  S99  1  0.083333  0.540886  0.611132  1
  S  S100  1  0.166728  0.665777  0.612677  1
  S  S101  1  0.250977  0.792050  0.612686  1
  S  S102  1  0.334203  0.916983  0.611133  1
  S  S103  1  0.083333  0.291542  0.610470  1
  S  S104  1  0.166693  0.416635  0.610616  1
  S  S105  1  0.250140  0.541741  0.610611  1
  S  S106  1  0.333272  0.666730  0.610599  1
  S  S107  1  0.416861  0.791471  0.610532  1
  S  S108  1  0.500183  0.916476  0.610590  1
  S  S109  1  0.083333  0.041527  0.610604  1
  S  S110  1  0.166581  0.166433  0.610297  1
  S  S111  1  0.249866  0.291632  0.610407  1
  S  S112  1  0.333201  0.416880  0.610430  1
  S  S113  1  0.416498  0.541921  0.610367  1
  S  S114  1  0.499940  0.666749  0.610287  1
  S  S115  1  0.583333  0.791527  0.610298  1
  S  S116  1  0.666484  0.916476  0.610590  1
  S  S117  1  0.249899  0.041703  0.610599  1
  S  S118  1  0.333152  0.166525  0.610408  1
  S  S119  1  0.416504  0.291740  0.610424  1
  S  S120  1  0.499890  0.416951  0.610494  1
  S  S121  1  0.583333  0.541937  0.610483  1
  S  S122  1  0.666727  0.666749  0.610287  1
  S  S123  1  0.749806  0.791471  0.610532  1
  S  S124  1  0.832464  0.916983  0.611133  1
  S  S125  1  0.416695  0.041587  0.610628  1
  S  S126  1  0.499907  0.166573  0.610492  1
  S  S127  1  0.583333  0.291783  0.610543  1
  S  S128  1  0.666777  0.416951  0.610494  1
  S  S129  1  0.750169  0.541921  0.610367  1
  S  S130  1  0.833395  0.666730  0.610599  1
  S  S131  1  0.915690  0.792050  0.612686  1
  S  S132  1  -0.000887  0.917184  0.612705  1
  S  S133  1  0.583333  0.041489  0.610608  1
  S  S134  1  0.666759  0.166573  0.610492  1
  S  S135  1  0.750162  0.291740  0.610424  1
  S  S136  1  0.833465  0.416880  0.610430  1
  S  S137  1  0.916527  0.541741  0.610611  1
  S  S138  1  -0.000061  0.665777  0.612677  1
  S  S139  1  0.749972  0.041587  0.610628  1
  S  S140  1  0.833515  0.166525  0.610408  1
  S  S141  1  0.916800  0.291632  0.610407  1
  S  S142  1  -0.000027  0.416635  0.610616  1
  S  S143  1  0.916768  0.041703  0.610599  1
  S  S144  1  0.000086  0.166433  0.610297  1
