# generated using pymatgen
data_Th2MoOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76603683
_cell_length_b   5.76603698
_cell_length_c   5.26532385
_cell_angle_alpha   56.80104194
_cell_angle_beta   56.80103974
_cell_angle_gamma   59.99999513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2MoOs3
_chemical_formula_sum   'Th2 Mo1 Os3'
_cell_volume   117.45686170
_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  0.75302057  0.75302057  0.74093730  1.0
  Th  Th1  1  0.49697943  0.49697943  0.50906270  1.0
  Mo  Mo2  1  0.12500000  0.12500000  0.62500000  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  0.62500000  0.12500000  1.0