data_[Ti10O10]
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 [C2/m]
_cell_length_a [9.3411]
_cell_length_b [4.1737]
_cell_length_c [5.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiO]
_chemical_formula_sum '[Ti10 O10]'
_cell_volume [217.5909]
_cell_formula_units_Z [10]
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  0.1495  0.5000  0.3255  1.0
  Ti  Ti1  4  0.1626  0.5000  0.8276  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1710  0.0000  0.3434  1.0
  O  O4  4  0.1718  0.0000  0.8314  1.0
  O  O5  2  0.0000  0.5000  0.0000  1.0
]