data_[Ce4B2C2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4440]
_cell_length_b [3.1222]
_cell_length_c [7.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2BCN]
_chemical_formula_sum '[Ce4 B2 C2 N2]'
_cell_volume [140.3542]
_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  0.2220  0.7500  0.9228  1
  Ce  Ce1  2  0.2571  0.7500  0.4472  1
  B  B2  2  0.4189  0.2500  0.2211  1
  C  C3  2  0.4650  0.2500  0.7563  1
  N  N4  2  0.1735  0.2500  0.1703  1
]