data_[Ti8Bi4O22]
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 [14.9306]
_cell_length_b [3.7969]
_cell_length_c [10.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Bi2O11]
_chemical_formula_sum '[Ti8 Bi4 O22]'
_cell_volume [428.3192]
_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  0.1188  0.5000  0.5317  1.0
  Ti  Ti1  4  0.1608  0.5000  0.2179  1.0
  Bi  Bi2  4  0.1108  0.0000  0.8581  1.0
  O  O3  4  0.0631  0.5000  0.6671  1.0
  O  O4  4  0.1235  0.5000  0.3528  1.0
  O  O5  4  0.1458  0.0000  0.5704  1.0
  O  O6  4  0.2009  0.0000  0.2419  1.0
  O  O7  4  0.2074  0.5000  0.0487  1.0
  O  O8  2  0.0000  0.5000  0.0000  1.0
]