data_[Hf12Zr4N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3781]
_cell_length_b [6.4463]
_cell_length_c [5.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf3ZrN]
_chemical_formula_sum '[Hf12 Zr4 N4]'
_cell_volume [378.2926]
_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  4  0.0219  0.2497  0.8990  1
  Hf  Hf1  4  0.2725  0.2564  0.5913  1
  Hf  Hf2  2  0.0255  0.5000  0.4194  1
  Hf  Hf3  2  0.2708  0.5000  0.0705  1
  Zr  Zr4  2  0.0194  0.0000  0.4156  1
  Zr  Zr5  2  0.2730  0.0000  0.0954  1
  N  N6  2  0.1408  0.5000  0.7487  1
  N  N7  2  0.4021  0.5000  0.7531  1
]