data_[Ti20O8]
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/c]
_cell_length_a [13.0723]
_cell_length_b [5.1869]
_cell_length_c [5.6254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti5O2]
_chemical_formula_sum '[Ti20 O8]'
_cell_volume [367.6270]
_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  0.1024  0.0811  0.4515  1.0
  Ti  Ti1  8  0.1992  0.4171  0.1522  1.0
  Ti  Ti2  4  0.0000  0.4058  0.7500  1.0
  O  O3  8  0.1507  0.2523  0.7994  1.0
]