data_[Hf8Pb8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5044]
_cell_length_b [9.5422]
_cell_length_c [5.5952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfPbO3]
_chemical_formula_sum '[Hf8 Pb8 O24]'
_cell_volume [666.4408]
_cell_formula_units_Z [8]
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  0.0849  0.2500  1.0
  Hf  Hf1  4  0.0000  0.2698  0.7500  1.0
  Pb  Pb2  8  0.1983  0.3910  0.2637  1.0
  O  O3  8  0.0803  0.0866  0.9305  1.0
  O  O4  8  0.0861  0.2368  0.4403  1.0
  O  O5  8  0.1135  0.4023  0.8892  1.0
]