data_[Ac16Nb8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.7401]
_cell_length_b [11.7194]
_cell_length_c [12.9809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac2NbN3]
_chemical_formula_sum '[Ac16 Nb8 N24]'
_cell_volume [870.3992]
_cell_formula_units_Z [8]
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  8  0.2179  0.1989  0.3576  1
  Ac  Ac1  8  0.2328  0.8887  0.4245  1
  Nb  Nb2  8  0.2071  0.4975  0.8269  1
  N  N3  8  0.2016  0.3340  0.8790  1
  N  N4  8  0.2431  0.0970  0.5453  1
  N  N5  4  0.0000  0.0030  0.2500  1
  N  N6  4  0.0000  0.3639  0.2500  1
]