data_[Ce2Sc2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  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 [5.6871]
_cell_length_b [3.3061]
_cell_length_c [8.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeScNbN3]
_chemical_formula_sum '[Ce2 Sc2 Nb2 N6]'
_cell_volume [155.1476]
_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  0.3536  0.2500  0.3049  1.0
  Sc  Sc1  2  0.2283  0.7500  0.9505  1.0
  Nb  Nb2  2  0.1273  0.2500  0.6365  1.0
  N  N3  2  0.0411  0.7500  0.1579  1.0
  N  N4  2  0.2520  0.7500  0.5121  1.0
  N  N5  2  0.4429  0.2500  0.8349  1.0
]