data_[Hf16Pb4O4]
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 [7.4615]
_cell_length_b [14.3476]
_cell_length_c [5.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4PbO]
_chemical_formula_sum '[Hf16 Pb4 O4]'
_cell_volume [519.9864]
_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  0.0898  0.2273  0.0647  1
  Hf  Hf1  8  0.2398  0.4115  0.3748  1
  Pb  Pb2  4  0.0000  0.4061  0.7500  1
  O  O3  4  0.0000  0.1171  0.2500  1
]