data_[Hf8Zr24N4]
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 [C2/c]
_cell_length_a [10.2397]
_cell_length_b [10.4130]
_cell_length_c [7.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Zr6N]
_chemical_formula_sum '[Hf8 Zr24 N4]'
_cell_volume [779.6898]
_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  0.1190  0.4730  0.1275  1
  Zr  Zr1  8  0.1082  0.2599  0.4040  1
  Zr  Zr2  8  0.1398  0.0131  0.1108  1
  Zr  Zr3  8  0.1456  0.2538  0.8381  1
  N  N4  4  0.0000  0.1067  0.2500  1
]