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 [Ima2]
_cell_length_a [5.5867]
_cell_length_b [9.9323]
_cell_length_c [5.6037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [HfPbO3]
_chemical_formula_sum '[Hf4 Pb4 O12]'
_cell_volume [310.9387]
_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  0.2500  0.1486  0.0915  1.0
  Pb  Pb1  4  0.2500  0.6248  0.1623  1.0
  O  O2  8  0.0265  0.2383  0.3570  1.0
  O  O3  4  0.0000  0.0000  0.0433  1.0
]