data_[Ce8Hf4Zr4N20]
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 [Cmc2_1]
_cell_length_a [3.4551]
_cell_length_b [13.8406]
_cell_length_c [10.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfZrN5]
_chemical_formula_sum '[Ce8 Hf4 Zr4 N20]'
_cell_volume [506.6642]
_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
[
  Ce  Ce0  4  0.0000  0.1158  0.6950  1.0
  Ce  Ce1  4  0.0000  0.1385  0.2766  1.0
  Hf  Hf2  4  0.0000  0.2229  0.0012  1.0
  Zr  Zr3  4  0.0000  0.4742  0.4718  1.0
  N  N4  4  0.0000  0.0689  0.0605  1.0
  N  N5  4  0.0000  0.2759  0.6533  1.0
  N  N6  4  0.0000  0.3065  0.3770  1.0
  N  N7  4  0.0000  0.3740  0.0129  1.0
  N  N8  4  0.0000  0.4953  0.7755  1.0
]