data_[Hf8Ti16Zn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [C2/c]
_cell_length_a [9.1997]
_cell_length_b [5.3048]
_cell_length_c [13.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ti4(ZnN)3]
_chemical_formula_sum '[Hf8 Ti16 Zn12 N12]'
_cell_volume [652.3228]
_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
[
  Hf  Hf0  8  0.0465  0.4178  0.8941  1
  Ti  Ti1  8  0.1101  0.0858  0.0800  1
  Ti  Ti2  8  0.2243  0.0821  0.4200  1
  Zn  Zn3  8  0.2332  0.3505  0.2500  1
  Zn  Zn4  4  0.0000  0.0509  0.2500  1
  N  N5  8  0.0812  0.2563  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]