data_[Ce4Co4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4986]
_cell_length_b [3.9123]
_cell_length_c [7.4485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCoN3]
_chemical_formula_sum '[Ce4 Co4 N12]'
_cell_volume [295.9030]
_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  0.1588  0.0000  0.8081  1.0
  Co  Co1  4  0.0460  0.5000  0.1609  1.0
  N  N2  4  0.1125  0.5000  0.3941  1.0
  N  N3  4  0.1401  0.5000  0.9749  1.0
  N  N4  4  0.1502  0.5000  0.5583  1.0
]