data_[Ti32C16O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.7090]
_cell_length_b [8.7090]
_cell_length_c [8.7090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ti8C4O]
_chemical_formula_sum '[Ti32 C16 O4]'
_cell_volume [660.5522]
_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  16  0.1202  0.1202  0.6202  1
  Ti  Ti1  16  0.1308  0.1308  0.1308  1
  C  C2  16  0.1254  0.1254  0.3746  1
  O  O3  4  0.2500  0.2500  0.7500  1
]