data_[Ac12Ce9Nb3N24]
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 [R-3m]
_cell_length_a [7.2090]
_cell_length_b [7.2090]
_cell_length_c [18.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac4Ce3NbN8]
_chemical_formula_sum '[Ac12 Ce9 Nb3 N24]'
_cell_volume [822.0464]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Ac  Ac1  3  -0.0000  -0.0000  0.0000  1
  Ce  Ce2  9  0.0000  0.5000  0.5000  1
  Nb  Nb3  3  0.0000  0.0000  0.5000  1
  N  N4  18  0.0268  0.5134  0.2339  1
  N  N5  6  0.0000  0.0000  0.2359  1
]