data_[Ce8Pu4Cu4N20]
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
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4308]
_cell_length_b [13.3646]
_cell_length_c [10.3512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2PuCuN5]
_chemical_formula_sum '[Ce8 Pu4 Cu4 N20]'
_cell_volume [474.6098]
_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
[
  Ce  Ce0  4  0.0000  0.1074  0.6860  1
  Ce  Ce1  4  0.0000  0.1284  0.3024  1
  Pu  Pu2  4  0.0000  0.1999  0.0080  1
  Cu  Cu3  4  0.0000  0.4899  0.4688  1
  N  N4  4  0.0000  0.0510  0.0555  1
  N  N5  4  0.0000  0.2833  0.6484  1
  N  N6  4  0.0000  0.2992  0.3714  1
  N  N7  4  0.0000  0.3552  0.0067  1
  N  N8  4  0.0000  0.4942  0.7768  1
]