data_[Ce10Pu2N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.3838]
_cell_length_b [7.3838]
_cell_length_c [7.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce5PuN8]
_chemical_formula_sum '[Ce10 Pu2 N16]'
_cell_volume [404.2654]
_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
[
  Ce  Ce0  8  0.1291  0.7479  0.1250  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Pu  Pu2  2  0.0000  0.5000  0.7500  1
  N  N3  8  0.0536  0.7966  0.8112  1
  N  N4  8  0.0585  0.6930  0.4293  1
]