data_[Ti8Si2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4806]
_cell_length_b [5.6863]
_cell_length_c [5.5898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti4SiN]
_chemical_formula_sum '[Ti8 Si2 N2]'
_cell_volume [173.5961]
_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  4  0.1693  0.1265  0.4004  1
  Ti  Ti1  4  0.3944  0.6668  0.3222  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  N  N3  2  0.5000  0.0000  0.5000  1
]