# generated using pymatgen
data_ThO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96047591
_cell_length_b   3.96047629
_cell_length_c   3.96047634
_cell_angle_alpha   59.99999961
_cell_angle_beta   59.99999637
_cell_angle_gamma   60.00001069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThO2
_chemical_formula_sum   'Th1 O2'
_cell_volume   43.92656474
_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  0.00000000  -0.00000000  -0.00000000  1.0
  O  O1  1  0.25000000  0.25000000  0.25000000  1.0
  O  O2  1  0.75000000  0.75000000  0.75000000  1.0