data_[Pu8Ti4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2897]
_cell_length_b [13.2189]
_cell_length_c [10.2054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2TiNbN5]
_chemical_formula_sum '[Pu8 Ti4 Nb4 N20]'
_cell_volume [443.7980]
_cell_formula_units_Z [4]
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
[
  Pu  Pu0  4  0.0000  0.1117  0.6991  1
  Pu  Pu1  4  0.0000  0.1407  0.2857  1
  Ti  Ti2  4  0.0000  0.4783  0.4694  1
  Nb  Nb3  4  0.0000  0.2178  0.0048  1
  N  N4  4  0.0000  0.0547  0.0584  1
  N  N5  4  0.0000  0.2804  0.6517  1
  N  N6  4  0.0000  0.3155  0.3707  1
  N  N7  4  0.0000  0.3705  0.0016  1
  N  N8  4  0.0000  0.4917  0.7826  1
]