data_[Ti20Bi8O4]
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 [Cmcm]
_cell_length_a [3.7991]
_cell_length_b [15.3387]
_cell_length_c [11.3205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti5Bi2O]
_chemical_formula_sum '[Ti20 Bi8 O4]'
_cell_volume [659.6827]
_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  8  0.0000  0.1390  0.1305  1
  Ti  Ti1  8  0.0000  0.3067  0.0486  1
  Ti  Ti2  4  0.0000  0.2483  0.7500  1
  Bi  Bi3  8  0.0000  0.0573  0.6144  1
  O  O4  4  0.0000  0.2523  0.2500  1
]