data_[Ac2Ce2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [7.7720]
_cell_length_b [3.6191]
_cell_length_c [8.1020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcCeNbN3]
_chemical_formula_sum '[Ac2 Ce2 Nb2 N6]'
_cell_volume [226.2487]
_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
[
  Ac  Ac0  2  0.1637  0.7500  0.1688  1
  Ce  Ce1  2  0.3736  0.2500  0.8408  1
  Nb  Nb2  2  0.1105  0.7500  0.5931  1
  N  N3  2  0.1229  0.7500  0.8434  1
  N  N4  2  0.1681  0.2500  0.4853  1
  N  N5  2  0.4101  0.2500  0.1170  1
]