data_[Ce4Ta2Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6222]
_cell_length_b [5.7523]
_cell_length_c [9.7733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2TaNbN6]
_chemical_formula_sum '[Ce4 Ta2 Nb2 N12]'
_cell_volume [258.5010]
_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  4  0.2420  0.0494  0.2500  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb2  2  0.5000  0.0000  0.0000  1.0
  N  N3  4  0.1413  0.1970  0.9456  1.0
  N  N4  4  0.2475  0.6950  0.9455  1.0
  N  N5  4  0.3531  0.0335  0.7490  1.0
]