data_[Ce8Zr4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3386]
_cell_length_b [13.4312]
_cell_length_c [10.2450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ZrCrN5]
_chemical_formula_sum '[Ce8 Zr4 Cr4 N20]'
_cell_volume [459.3993]
_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  0.1126  0.6930  1.0
  Ce  Ce1  4  0.0000  0.1421  0.3028  1.0
  Zr  Zr2  4  0.0000  0.2092  0.0079  1.0
  Cr  Cr3  4  0.0000  0.4834  0.4636  1.0
  N  N4  4  0.0000  0.0382  0.0372  1.0
  N  N5  4  0.0000  0.2846  0.6594  1.0
  N  N6  4  0.0000  0.3190  0.3690  1.0
  N  N7  4  0.0000  0.3696  0.0013  1.0
  N  N8  4  0.0000  0.4896  0.7899  1.0
]