data_[Ce2Hf4Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [14.3335]
_cell_length_b [3.2735]
_cell_length_c [6.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHf2Zr3N6]
_chemical_formula_sum '[Ce2 Hf4 Zr6 N12]'
_cell_volume [303.9896]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1
  Hf  Hf1  4  0.1687  0.0000  0.3361  1
  Zr  Zr2  4  0.1668  0.0000  0.8322  1
  Zr  Zr3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0059  0.0000  0.2691  1
  N  N5  4  0.1698  0.5000  0.5753  1
  N  N6  4  0.1730  0.5000  0.0979  1
]