data_[Ti8Pb8O24]
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 [Cc]
_cell_length_a [9.8738]
_cell_length_b [10.9125]
_cell_length_c [7.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TiPbO3]
_chemical_formula_sum '[Ti8 Pb8 O24]'
_cell_volume [626.8986]
_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
[
  Ti  Ti0  4  0.0115  0.0314  0.5474  1.0
  Ti  Ti1  4  0.2379  0.2327  0.0019  1.0
  Pb  Pb2  4  0.1518  0.4720  0.5229  1.0
  Pb  Pb3  4  0.4239  0.2371  0.5499  1.0
  O  O4  4  0.1061  0.1217  0.0591  1.0
  O  O5  4  0.1773  0.1364  0.7355  1.0
  O  O6  4  0.2111  0.3473  0.2092  1.0
  O  O7  4  0.2893  0.3856  0.9094  1.0
  O  O8  4  0.4420  0.1811  0.2308  1.0
  O  O9  4  0.4491  0.4439  0.7337  1.0
]