data_[Li2Pu1Pd2Pb1]
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
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4806]
_cell_length_b [4.4806]
_cell_length_c [6.6216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2PuPd2Pb]
_chemical_formula_sum '[Li2 Pu1 Pd2 Pb1]'
_cell_volume [115.1230]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6674  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.3333  0.6667  0.2399  1
  Pb  Pb3  1  0.0000  0.0000  0.5000  1
]