data_[Ti2Zn6N6]
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 [Cm]
_cell_length_a [5.7986]
_cell_length_b [9.6587]
_cell_length_c [17.6665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ti(ZnN)3]
_chemical_formula_sum '[Ti2 Zn6 N6]'
_cell_volume [989.4471]
_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  0.3393  0.5000  0.5388  1
  Zn  Zn1  4  0.3365  0.1722  0.5141  1
  Zn  Zn2  2  0.0728  0.5000  0.3878  1
  N  N3  4  0.0078  0.1562  0.5249  1
  N  N4  2  0.0244  0.5000  0.4954  1
]