data_[Na2La4Pu6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  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 [18.4632]
_cell_length_b [4.2177]
_cell_length_c [8.4941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLa2(PuSe2)3]
_chemical_formula_sum '[Na2 La4 Pu6 Se12]'
_cell_volume [642.3559]
_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  0.5000  0.0000  1
  La  La1  4  0.1655  0.0000  0.3313  1
  Pu  Pu2  4  0.1662  0.0000  0.8331  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0024  0.0000  0.7444  1
  Se  Se5  4  0.1641  0.5000  0.5898  1
  Se  Se6  4  0.1680  0.5000  0.0759  1
]