data_[Ti2Zn8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4961]
_cell_length_b [5.5803]
_cell_length_c [8.2004]
_cell_angle_alpha [71.1850]
_cell_angle_beta [81.1228]
_cell_angle_gamma [69.9816]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti(ZnN)4]
_chemical_formula_sum '[Ti2 Zn8 N8]'
_cell_volume [223.4067]
_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  2  0.2950  0.3736  0.7763  1.0
  Zn  Zn1  2  0.2110  0.7885  0.0334  1.0
  Zn  Zn2  2  0.2460  0.4798  0.4309  1.0
  Zn  Zn3  2  0.2503  0.9434  0.5567  1.0
  Zn  Zn4  2  0.2957  0.1952  0.1945  1.0
  N  N5  2  0.0492  0.6798  0.6126  1.0
  N  N6  2  0.1591  0.1803  0.9913  1.0
  N  N7  2  0.4377  0.4901  0.2009  1.0
  N  N8  2  0.4466  0.1326  0.6371  1.0
]