data_[Na8Pu4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2401]
_cell_length_b [12.5488]
_cell_length_c [7.2660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2PuSe3]
_chemical_formula_sum '[Na8 Pu4 Se12]'
_cell_volume [622.0861]
_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
[
  Na  Na0  4  0.0000  0.1599  0.5000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  4  0.0000  0.3330  0.0000  1
  Se  Se4  8  0.2457  0.3225  0.7711  1
  Se  Se5  4  0.2232  0.5000  0.2303  1
]