data_[Ti4O6]
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 [Pc]
_cell_length_a [17.6279]
_cell_length_b [5.4437]
_cell_length_c [6.1329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ti2O3]
_chemical_formula_sum '[Ti4 O6]'
_cell_volume [588.5237]
_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  2  0.4597  0.3889  0.7051  1
  Ti  Ti1  2  0.5360  0.0259  0.0462  1
  O  O2  2  0.4365  0.1302  0.5461  1
  O  O3  2  0.4820  0.3530  0.0095  1
  O  O4  2  0.5855  0.0975  0.3067  1
]