data_[Pu9U3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9127]
_cell_length_b [5.9127]
_cell_length_c [14.4882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pu3UN6]
_chemical_formula_sum '[Pu9 U3 N18]'
_cell_volume [438.6440]
_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
[
  Pu  Pu0  3  0.0000  0.0000  0.1317  1
  Pu  Pu1  3  0.0000  0.0000  0.3562  1
  Pu  Pu2  3  0.0000  0.0000  0.6317  1
  U  U3  3  0.0000  0.0000  0.8557  1
  N  N4  9  0.0624  0.3665  0.9197  1
  N  N5  9  0.0640  0.6864  0.4219  1
]