data_[Li12Sm9Pu3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3071]
_cell_length_b [8.3071]
_cell_length_c [19.5101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4Sm3PuSe8]
_chemical_formula_sum '[Li12 Sm9 Pu3 Se24]'
_cell_volume [1165.9826]
_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
[
  Li  Li0  9  0.0000  0.5000  0.0000  1
  Li  Li1  3  -0.0000  -0.0000  0.0000  1
  Sm  Sm2  9  0.0000  0.5000  0.5000  1
  Pu  Pu3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0014  0.5007  0.2522  1
  Se  Se5  6  0.0000  0.0000  0.2527  1
]