data_[Hf4Pb4O12]
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/m]
_cell_length_a [14.7044]
_cell_length_b [3.3070]
_cell_length_c [7.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfPbO3]
_chemical_formula_sum '[Hf4 Pb4 O12]'
_cell_volume [359.5643]
_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  0.1676  0.5000  0.3375  1
  Pb  Pb1  4  0.1243  0.0000  0.9209  1
  O  O2  4  0.0841  0.0000  0.2031  1
  O  O3  4  0.1873  0.0000  0.5280  1
  O  O4  4  0.2104  0.5000  0.1110  1
]