data_[Hf4Th4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.3090]
_cell_length_b [5.3699]
_cell_length_c [10.0596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [HfThO3]
_chemical_formula_sum '[Hf4 Th4 O12]'
_cell_volume [286.7902]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.2500  0.2019  0.2666  1
  Th  Th1  4  0.2500  0.7426  0.4916  1
  O  O2  4  0.0000  0.0000  0.1461  1
  O  O3  4  0.0000  0.0000  0.8284  1
  O  O4  4  0.2500  0.1542  0.5172  1
]