data_[Hf4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4637]
_cell_length_b [10.4381]
_cell_length_c [3.5305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfO3]
_chemical_formula_sum '[Hf4 O12]'
_cell_volume [183.6864]
_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  0.0000  0.1433  0.0000  1
  O  O1  8  0.2277  0.3117  0.3649  1
  O  O2  4  0.2243  0.0000  0.9794  1
]