data_[Ca2Ce2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/m]
_cell_length_a [5.8379]
_cell_length_b [3.3859]
_cell_length_c [8.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaCeNbN3]
_chemical_formula_sum '[Ca2 Ce2 Nb2 N6]'
_cell_volume [169.4169]
_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
[
  Ca  Ca0  2  0.2310  0.7500  0.9514  1.0
  Ce  Ce1  2  0.3520  0.2500  0.3135  1.0
  Nb  Nb2  2  0.1347  0.2500  0.6346  1.0
  N  N3  2  0.0573  0.7500  0.1892  1.0
  N  N4  2  0.2482  0.7500  0.5210  1.0
  N  N5  2  0.4361  0.2500  0.8083  1.0
]