data_[Li4Pd2Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6643]
_cell_length_b [4.8067]
_cell_length_c [6.7273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2PdPb8]
_chemical_formula_sum '[Li4 Pd2 Pb16]'
_cell_volume [607.3432]
_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
[
  Li  Li0  4  0.1905  0.0000  0.7609  1.0
  Pd  Pd1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.0254  0.0000  0.7669  1.0
  Pb  Pb3  4  0.1050  0.5000  0.4298  1.0
  Pb  Pb4  4  0.1432  0.5000  0.9710  1.0
  Pb  Pb5  4  0.2120  0.0000  0.3131  1.0
]