data_[Ac2Pu2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5316]
_cell_length_b [3.6361]
_cell_length_c [7.8804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcPuTiN3]
_chemical_formula_sum '[Ac2 Pu2 Ti2 N6]'
_cell_volume [212.3563]
_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  0.1762  0.7500  0.1823  1
  Pu  Pu1  2  0.3639  0.2500  0.8366  1
  Ti  Ti2  2  0.1048  0.7500  0.6029  1
  N  N3  2  0.1065  0.7500  0.8491  1
  N  N4  2  0.1577  0.2500  0.5171  1
  N  N5  2  0.4271  0.2500  0.1237  1
]