data_[Pu2U10N12]
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 [C2/m]
_cell_length_a [5.9623]
_cell_length_b [10.3239]
_cell_length_c [5.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuU5N6]
_chemical_formula_sum '[Pu2 U10 N12]'
_cell_volume [346.4703]
_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
[
  Pu  Pu0  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.0000  0.1645  0.5000  1
  U  U2  4  0.0000  0.3329  0.0000  1
  U  U3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2452  0.3301  0.7460  1
  N  N5  4  0.2433  0.5000  0.2513  1
]