data_[La8Pu2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.8798]
_cell_length_b [5.8798]
_cell_length_c [11.5007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La4PuN4]
_chemical_formula_sum '[La8 Pu2 N8]'
_cell_volume [397.6074]
_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
[
  La  La0  4  0.0000  0.0000  0.2770  1
  La  La1  4  0.0000  0.5000  0.0000  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  N  N3  8  0.2369  0.2369  0.1246  1
]