# generated using pymatgen
data_Th2NbOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30583345
_cell_length_b   5.82612508
_cell_length_c   5.82612501
_cell_angle_alpha   59.99999468
_cell_angle_beta   56.69949134
_cell_angle_gamma   56.69948625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2NbOs3
_chemical_formula_sum   'Th2 Nb1 Os3'
_cell_volume   120.62192622
_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  0.73930050  0.75356650  0.75356650  1.0
  Th  Th1  1  0.51069950  0.49643350  0.49643350  1.0
  Nb  Nb2  1  0.62500000  0.12500000  0.12500000  1.0
  Os  Os3  1  0.12500000  0.12500000  0.12500000  1.0
  Os  Os4  1  0.12500000  0.62500000  0.12500000  1.0
  Os  Os5  1  0.12500000  0.12500000  0.62500000  1.0