data_[Pu16Rh10N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.2532]
_cell_length_b [8.2532]
_cell_length_c [8.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pu8Rh5N]
_chemical_formula_sum '[Pu16 Rh10 N2]'
_cell_volume [596.3982]
_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  8  0.0615  0.3158  0.5779  1
  Pu  Pu1  8  0.0645  0.2218  0.2117  1
  Rh  Rh2  8  0.1096  0.2236  0.8931  1
  Rh  Rh3  2  0.0000  0.0000  0.5000  1
  N  N4  2  0.0000  0.5000  0.2500  1
]