data_[Ce8Ti4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3462]
_cell_length_b [13.3422]
_cell_length_c [10.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TiNbN5]
_chemical_formula_sum '[Ce8 Ti4 Nb4 N20]'
_cell_volume [460.1046]
_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  0.1105  0.6929  1.0
  Ce  Ce1  4  0.0000  0.1420  0.2890  1.0
  Ti  Ti2  4  0.0000  0.4752  0.4674  1.0
  Nb  Nb3  4  0.0000  0.2170  0.0070  1.0
  N  N4  4  0.0000  0.0529  0.0560  1.0
  N  N5  4  0.0000  0.2801  0.6501  1.0
  N  N6  4  0.0000  0.3153  0.3765  1.0
  N  N7  4  0.0000  0.3707  0.0012  1.0
  N  N8  4  0.0000  0.4943  0.7838  1.0
]