data_[Ti6O3]
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 [P2/m]
_cell_length_a [4.7663]
_cell_length_b [2.9467]
_cell_length_c [8.1657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti2O]
_chemical_formula_sum '[Ti6 O3]'
_cell_volume [114.6041]
_cell_formula_units_Z [3]
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  0.2520  0.5000  0.5712  1.0
  Ti  Ti1  2  0.2632  0.0000  0.2429  1.0
  Ti  Ti2  2  0.2632  0.5000  0.9151  1.0
  O  O3  2  0.3048  0.0000  0.7420  1.0
  O  O4  1  0.0000  0.0000  0.0000  1.0
]