data_[Ti4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [14.5010]
_cell_length_b [3.1527]
_cell_length_c [7.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiPbO3]
_chemical_formula_sum '[Ti4 Pb4 O12]'
_cell_volume [323.9649]
_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
[
  Ti  Ti0  4  0.1732  0.5000  0.3333  1
  Pb  Pb1  4  0.1181  0.0000  0.9071  1
  O  O2  4  0.0869  0.0000  0.1989  1
  O  O3  4  0.1882  0.0000  0.5235  1
  O  O4  4  0.2125  0.5000  0.1164  1
]