data_[Na2Pu2Cu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [10.2344]
_cell_length_b [10.2344]
_cell_length_c [9.0455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaPu(CuI4)2]
_chemical_formula_sum '[Na2 Pu2 Cu4 I16]'
_cell_volume [947.4502]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.5000  0.7500  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.0000  0.5000  0.2500  1
  I  I4  8  0.0000  0.1958  0.6824  1
  I  I5  8  0.0000  0.3207  0.0502  1
]