data_[Hf4O8]
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 [P2_12_12]
_cell_length_a [5.1337]
_cell_length_b [5.2108]
_cell_length_c [4.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [HfO2]
_chemical_formula_sum '[Hf4 O8]'
_cell_volume [132.0711]
_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  0.2225  0.7824  0.2719  1.0
  O  O1  4  0.1861  0.1630  0.1032  1.0
  O  O2  2  0.0000  0.0000  0.5741  1.0
  O  O3  2  0.0000  0.5000  0.4894  1.0
]