data_[Na6Ce2Pu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3468]
_cell_length_b [12.7260]
_cell_length_c [7.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce(PuSe3)2]
_chemical_formula_sum '[Na6 Ce2 Pu4 Se12]'
_cell_volume [648.4614]
_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  4  0.0000  0.1671  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Pu  Pu3  4  0.0000  0.3334  0.0000  1
  Se  Se4  8  0.2448  0.1675  0.2316  1
  Se  Se5  4  0.2421  0.5000  0.2319  1
]