data_[Ce8Bi4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5143]
_cell_length_b [6.6355]
_cell_length_c [9.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4Bi2N]
_chemical_formula_sum '[Ce8 Bi4 N2]'
_cell_volume [392.5060]
_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  0.2594  0.0293  0.7062  1.0
  Ce  Ce1  2  0.2032  0.7500  0.0285  1.0
  Ce  Ce2  2  0.2506  0.2500  0.3456  1.0
  Bi  Bi3  2  0.2502  0.7500  0.3953  1.0
  Bi  Bi4  2  0.3205  0.2500  0.0324  1.0
  N  N5  2  0.1099  0.7500  0.7726  1.0
]