data_[Ce8B4N10]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1357]
_cell_length_b [3.5465]
_cell_length_c [8.9198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4B2N5]
_chemical_formula_sum '[Ce8 B4 N10]'
_cell_volume [296.4399]
_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  4  0.0747  0.0000  0.3478  1.0
  Ce  Ce1  4  0.1874  0.5000  0.1128  1.0
  B  B2  4  0.0889  0.5000  0.6095  1.0
  N  N3  4  0.1204  0.5000  0.8012  1.0
  N  N4  4  0.2084  0.5000  0.6033  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]