data_[Ce2Hf2Co2N6]
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
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9140]
_cell_length_b [3.2423]
_cell_length_c [7.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeHfCoN3]
_chemical_formula_sum '[Ce2 Hf2 Co2 N6]'
_cell_volume [157.4261]
_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  0.1762  0.2500  0.2098  1.0
  Hf  Hf1  2  0.3420  0.7500  0.8440  1.0
  Co  Co2  2  0.1033  0.2500  0.5868  1.0
  N  N3  2  0.1243  0.2500  0.8688  1.0
  N  N4  2  0.1834  0.7500  0.4877  1.0
  N  N5  2  0.4308  0.7500  0.1494  1.0
]