data_[Ti12N8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7690]
_cell_length_b [9.9278]
_cell_length_c [10.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti3N2O3]
_chemical_formula_sum '[Ti12 N8 O12]'
_cell_volume [376.1684]
_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  4  0.0000  0.1344  0.0495  1
  Ti  Ti1  4  0.0000  0.1344  0.4423  1
  Ti  Ti2  4  0.0000  0.1949  0.7458  1
  N  N3  4  0.0000  0.0459  0.8825  1
  N  N4  4  0.0000  0.3032  0.5765  1
  O  O5  4  0.0000  0.0451  0.6197  1
  O  O6  4  0.0000  0.2463  0.2612  1
  O  O7  4  0.0000  0.3140  0.9226  1
]