data_[Pu4Hf16N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1991]
_cell_length_b [10.6572]
_cell_length_c [16.2388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuHf4N6]
_chemical_formula_sum '[Pu4 Hf16 N24]'
_cell_volume [553.6281]
_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  0.0000  0.3463  0.7500  1
  Hf  Hf1  8  0.0000  0.1322  0.0475  1
  Hf  Hf2  8  0.0000  0.3970  0.1361  1
  N  N3  8  0.0000  0.0325  0.1585  1
  N  N4  8  0.0000  0.2298  0.5821  1
  N  N5  4  0.0000  0.3112  0.2500  1
  N  N6  4  0.0000  0.5000  0.0000  1
]