data_[Hf12Zr4N8]
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/m]
_cell_length_a [11.8594]
_cell_length_b [3.2507]
_cell_length_c [11.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3ZrN2]
_chemical_formula_sum '[Hf12 Zr4 N8]'
_cell_volume [380.8585]
_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  0.1277  0.5000  0.9809  1.0
  Hf  Hf1  4  0.1284  0.5000  0.4803  1.0
  Hf  Hf2  4  0.1287  0.0000  0.2302  1.0
  Zr  Zr3  4  0.1243  0.0000  0.7276  1.0
  N  N4  4  0.2470  0.0000  0.1206  1.0
  N  N5  4  0.2487  0.5000  0.3764  1.0
]