data_[Ti4Pb12O24]
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 [Cmc2_1]
_cell_length_a [9.6490]
_cell_length_b [12.1002]
_cell_length_c [5.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti(PbO2)3]
_chemical_formula_sum '[Ti4 Pb12 O24]'
_cell_volume [643.3906]
_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  0.0000  0.2238  0.5120  1.0
  Pb  Pb1  8  0.1922  0.1041  0.9853  1.0
  Pb  Pb2  4  0.0000  0.4070  0.9447  1.0
  O  O3  8  0.1455  0.4823  0.2170  1.0
  O  O4  8  0.1457  0.2820  0.6978  1.0
  O  O5  4  0.0000  0.0789  0.5455  1.0
  O  O6  4  0.0000  0.2592  0.1830  1.0
]