data_[Ac2Y2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Y  1.2200  1.8000  1.0400
  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 [7.7317]
_cell_length_b [3.5409]
_cell_length_c [8.1755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcYNbN3]
_chemical_formula_sum '[Ac2 Y2 Nb2 N6]'
_cell_volume [222.4422]
_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  0.1708  0.7500  0.1783  1
  Y  Y1  2  0.3784  0.2500  0.8550  1
  Nb  Nb2  2  0.1162  0.7500  0.5871  1
  N  N3  2  0.1450  0.7500  0.8340  1
  N  N4  2  0.1659  0.2500  0.4657  1
  N  N5  2  0.4059  0.2500  0.1295  1
]