data_[Hf6Zr4Ti2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9562]
_cell_length_b [3.2054]
_cell_length_c [6.4210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3Zr2TiN6]
_chemical_formula_sum '[Hf6 Zr4 Ti2 N12]'
_cell_volume [279.4712]
_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
[
  Hf  Hf0  4  0.1642  0.0000  0.8352  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  4  0.1642  0.0000  0.3291  1.0
  Ti  Ti3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.0027  0.0000  0.7530  1.0
  N  N5  4  0.1644  0.5000  0.5905  1.0
  N  N6  4  0.1659  0.5000  0.0749  1.0
]