data_[Li3Pu3In6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6156]
_cell_length_b [4.6156]
_cell_length_c [23.9539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiPu(InPd2)2]
_chemical_formula_sum '[Li3 Pu3 In6 Pd12]'
_cell_volume [441.9302]
_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  3  -0.0000  -0.0000  0.5000  1
  Pu  Pu1  3  0.0000  0.0000  0.0000  1
  In  In2  6  0.0000  0.0000  0.2420  1
  Pd  Pd3  6  0.0000  0.0000  0.1261  1
  Pd  Pd4  6  0.0000  0.0000  0.3909  1
]