data_[Hf8Zr6N16]
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 [9.0981]
_cell_length_b [9.1011]
_cell_length_c [6.4279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Zr3N8]
_chemical_formula_sum '[Hf8 Zr6 N16]'
_cell_volume [376.9168]
_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  0.2500  0.2500  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr3  4  0.2500  0.2500  0.5000  1.0
  Zr  Zr4  2  0.0000  0.5000  0.5000  1.0
  N  N5  4  0.0000  0.2403  0.0000  1.0
  N  N6  4  0.0000  0.2457  0.5000  1.0
  N  N7  4  0.2361  0.0000  0.4794  1.0
  N  N8  4  0.2373  0.0000  0.9935  1.0
]