data_[Ce4Nd8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2775]
_cell_length_b [10.8771]
_cell_length_c [6.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeNd2N3]
_chemical_formula_sum '[Ce4 Nd8 N12]'
_cell_volume [404.0745]
_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  0.0000  0.4168  0.2500  1.0
  Nd  Nd1  4  0.0000  0.0836  0.2500  1.0
  Nd  Nd2  4  0.0000  0.2500  0.7500  1.0
  N  N3  8  0.2330  0.5780  0.5007  1.0
  N  N4  4  0.2500  0.2500  0.5000  1.0
]