data_[Ce2Nb2N4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5974]
_cell_length_b [5.6662]
_cell_length_c [6.1032]
_cell_angle_alpha [62.3653]
_cell_angle_beta [88.9643]
_cell_angle_gamma [60.6856]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CeNbN2O]
_chemical_formula_sum '[Ce2 Nb2 N4 O2]'
_cell_volume [143.9488]
_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  1  0.3571  0.2577  0.1133  1
  Ce  Ce1  1  0.6221  0.7439  0.8849  1
  Nb  Nb2  1  0.1295  0.7408  0.4405  1
  Nb  Nb3  1  0.8552  0.2981  0.5582  1
  N  N4  1  0.1756  0.8367  0.7229  1
  N  N5  1  0.4444  0.7292  0.2827  1
  N  N6  1  0.8197  0.1747  0.2486  1
  N  N7  1  0.9971  0.4410  0.7281  1
  O  O8  1  0.0121  0.5501  0.2640  1
  O  O9  1  0.5873  0.2278  0.7568  1
]