data_[Ti8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1848]
_cell_length_b [2.9407]
_cell_length_c [4.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ti2O3]
_chemical_formula_sum '[Ti8 O12]'
_cell_volume [206.5093]
_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  2  0.0330  0.0000  0.4349  1
  Ti  Ti1  2  0.0514  0.5000  0.9131  1
  Ti  Ti2  2  0.2245  0.0000  0.4638  1
  Ti  Ti3  2  0.3676  0.5000  0.0142  1
  O  O4  2  0.1214  0.0000  0.1289  1
  O  O5  2  0.1311  0.5000  0.5937  1
  O  O6  2  0.2918  0.5000  0.3129  1
  O  O7  2  0.2949  0.0000  0.8178  1
  O  O8  2  0.4557  0.0000  0.2163  1
  O  O9  2  0.4600  0.5000  0.7477  1
]