data_[Li12Pd20Pb8]
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 [Ibam]
_cell_length_a [10.4654]
_cell_length_b [13.7919]
_cell_length_c [5.3109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3Pd5Pb2]
_chemical_formula_sum '[Li12 Pd20 Pb8]'
_cell_volume [766.5710]
_cell_formula_units_Z [4]
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  8  0.0884  0.3406  0.0000  1
  Li  Li1  4  0.0000  0.0000  0.2500  1
  Pd  Pd2  8  0.1606  0.3501  0.5000  1
  Pd  Pd3  8  0.2354  0.0000  0.2500  1
  Pd  Pd4  4  0.0000  0.5000  0.2500  1
  Pb  Pb5  8  0.1282  0.1613  0.5000  1
]