data_[Pu12Se12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2225]
_cell_length_b [12.1832]
_cell_length_c [9.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pu3Se3N]
_chemical_formula_sum '[Pu12 Se12 N4]'
_cell_volume [660.1259]
_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  0.1132  0.1221  0.1190  1
  Pu  Pu1  4  0.1463  0.0370  0.7356  1
  Pu  Pu2  4  0.3806  0.6607  0.8325  1
  Se  Se3  4  0.0916  0.1848  0.4229  1
  Se  Se4  4  0.3886  0.5693  0.1145  1
  Se  Se5  4  0.3905  0.6420  0.5264  1
  N  N6  4  0.0482  0.5499  0.6529  1
]