data_[Ce8Hf4Cr4N20]
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
  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 [3.3296]
_cell_length_b [13.3589]
_cell_length_c [10.2359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfCrN5]
_chemical_formula_sum '[Ce8 Hf4 Cr4 N20]'
_cell_volume [455.2854]
_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  0.1118  0.6928  1.0
  Ce  Ce1  4  0.0000  0.1419  0.3017  1.0
  Hf  Hf2  4  0.0000  0.2095  0.0079  1.0
  Cr  Cr3  4  0.0000  0.4830  0.4643  1.0
  N  N4  4  0.0000  0.0419  0.0385  1.0
  N  N5  4  0.0000  0.2838  0.6559  1.0
  N  N6  4  0.0000  0.3173  0.3725  1.0
  N  N7  4  0.0000  0.3692  0.0009  1.0
  N  N8  4  0.0000  0.4906  0.7894  1.0
]