data_[Hf16Ti8Ni12N12]
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
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4187]
_cell_length_b [5.4242]
_cell_length_c [12.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Ti2(NiN)3]
_chemical_formula_sum '[Hf16 Ti8 Ni12 N12]'
_cell_volume [644.3201]
_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  0.1194  0.0815  0.6092  1
  Hf  Hf1  8  0.2130  0.0845  0.8908  1
  Ti  Ti2  8  0.0560  0.4158  0.4149  1
  Ni  Ni3  8  0.1366  0.4492  0.7504  1
  Ni  Ni4  4  0.0000  0.1410  0.2500  1
  N  N5  8  0.0843  0.2477  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]