data_[Hf20O8]
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/c]
_cell_length_a [14.0870]
_cell_length_b [5.6301]
_cell_length_c [6.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5O2]
_chemical_formula_sum '[Hf20 O8]'
_cell_volume [462.5941]
_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  8  0.1018  0.0837  0.9495  1.0
  Hf  Hf1  8  0.1993  0.4155  0.6537  1.0
  Hf  Hf2  4  0.0000  0.4093  0.2500  1.0
  O  O3  8  0.1512  0.2535  0.3005  1.0
]