data_[Na12Pu9Pb3Se24]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5097]
_cell_length_b [8.5097]
_cell_length_c [20.7407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4Pu3PbSe8]
_chemical_formula_sum '[Na12 Pu9 Pb3 Se24]'
_cell_volume [1300.7309]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Na  Na1  3  -0.0000  -0.0000  0.5000  1
  Pu  Pu2  9  0.0000  0.5000  0.0000  1
  Pb  Pb3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0162  0.5081  0.2562  1
  Se  Se5  6  0.0000  0.0000  0.2572  1
]