data_[Ce2Hf2Fe2N6]
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
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9715]
_cell_length_b [3.2236]
_cell_length_c [7.1540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeHfFeN3]
_chemical_formula_sum '[Ce2 Hf2 Fe2 N6]'
_cell_volume [156.7370]
_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  0.1808  0.2500  0.2060  1.0
  Hf  Hf1  2  0.3433  0.7500  0.8412  1.0
  Fe  Fe2  2  0.0968  0.2500  0.5904  1.0
  N  N3  2  0.1248  0.2500  0.8653  1.0
  N  N4  2  0.1850  0.7500  0.4944  1.0
  N  N5  2  0.4309  0.7500  0.1513  1.0
]