data_[Ti14N6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.3379]
_cell_length_b [7.3379]
_cell_length_c [5.2060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ti7N3]
_chemical_formula_sum '[Ti14 N6]'
_cell_volume [242.7602]
_cell_formula_units_Z [2]
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  6  0.0881  0.5441  0.1289  1
  Ti  Ti1  6  0.1216  0.2431  0.4655  1
  Ti  Ti2  2  0.3333  0.6667  0.6305  1
  N  N3  6  0.1917  0.3834  0.8314  1
]