data_[Ti24C9N3O9]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0926]
_cell_length_b [6.0926]
_cell_length_c [14.9063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti8C3NO3]
_chemical_formula_sum '[Ti24 C9 N3 O9]'
_cell_volume [479.1865]
_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  18  0.0030  0.5015  0.7442  1.0
  Ti  Ti1  6  0.0000  0.0000  0.2586  1.0
  C  C2  9  0.0000  0.5000  0.0000  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
  O  O4  9  0.0000  0.5000  0.5000  1.0
]