data_[Pu8Np4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9347]
_cell_length_b [4.8858]
_cell_length_c [10.3834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pu2NpN3]
_chemical_formula_sum '[Pu8 Np4 N12]'
_cell_volume [351.8035]
_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  0.1234  0.7500  0.4175  1
  Pu  Pu1  4  0.1274  0.7500  0.7498  1
  Np  Np2  4  0.1235  0.7500  0.0853  1
  N  N3  4  0.1152  0.2500  0.0833  1
  N  N4  4  0.1247  0.2500  0.7497  1
  N  N5  4  0.1308  0.2500  0.4225  1
]