data_[Ti6Bi8O24]
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 [C2/m]
_cell_length_a [5.5469]
_cell_length_b [5.4449]
_cell_length_c [16.9671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3(BiO3)4]
_chemical_formula_sum '[Ti6 Bi8 O24]'
_cell_volume [509.4219]
_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  4  0.1088  0.5000  0.2544  1.0
  Ti  Ti1  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  4  0.1257  0.0000  0.1320  1.0
  Bi  Bi3  4  0.2472  0.5000  0.5765  1.0
  O  O4  8  0.1781  0.2592  0.7687  1.0
  O  O5  4  0.0000  0.2491  0.5000  1.0
  O  O6  4  0.0206  0.5000  0.1182  1.0
  O  O7  4  0.1305  0.5000  0.3605  1.0
  O  O8  4  0.2500  0.2500  0.0000  1.0
]