data_[Ti12Bi8O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.1506]
_cell_length_b [9.1506]
_cell_length_c [9.1506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Ti6Bi4O19]
_chemical_formula_sum '[Ti12 Bi8 O38]'
_cell_volume [766.2183]
_cell_formula_units_Z [2]
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  12  0.0000  0.1599  0.5000  1
  Bi  Bi1  8  0.1529  0.1529  0.1529  1
  O  O2  24  0.0372  0.2867  0.3283  1
  O  O3  12  0.0000  0.0000  0.3584  1
  O  O4  2  0.0000  0.0000  0.0000  1
]