data_[Ce2Nb2N6]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2565]
_cell_length_b [6.0926]
_cell_length_c [6.3705]
_cell_angle_alpha [115.5830]
_cell_angle_beta [108.6682]
_cell_angle_gamma [93.4909]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeNbN3]
_chemical_formula_sum '[Ce2 Nb2 N6]'
_cell_volume [137.2854]
_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  2  0.3834  0.6428  0.2884  1.0
  Nb  Nb1  2  0.1619  0.9784  0.8325  1.0
  N  N2  2  0.0711  0.4094  0.4420  1.0
  N  N3  2  0.1841  0.3176  0.8702  1.0
  N  N4  2  0.3719  0.0420  0.2077  1.0
]