# generated using pymatgen
data_Th2TaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82377416
_cell_length_b   5.30070992
_cell_length_c   5.82377388
_cell_angle_alpha   56.67831930
_cell_angle_beta   60.00000156
_cell_angle_gamma   56.67831125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2TaOs3
_chemical_formula_sum   'Th2 Ta1 Os3'
_cell_volume   120.36268292
_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
  Th  Th0  1  0.75363333  0.73910002  0.75363333  1.0
  Th  Th1  1  0.49636667  0.51089998  0.49636667  1.0
  Ta  Ta2  1  0.12500000  0.62500000  0.12500000  1.0
  Os  Os3  1  0.12500000  0.12500000  0.12500000  1.0
  Os  Os4  1  0.62500000  0.12500000  0.12500000  1.0
  Os  Os5  1  0.12500000  0.12500000  0.62500000  1.0