data_[Li16Pb12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8505]
_cell_length_b [9.7950]
_cell_length_c [8.0336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li4Pb3Au2]
_chemical_formula_sum '[Li16 Pb12 Au8]'
_cell_volume [770.3752]
_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  0.0489  0.1556  0.5765  1.0
  Li  Li1  8  0.1705  0.3768  0.0848  1.0
  Pb  Pb2  8  0.1608  0.1047  0.2296  1.0
  Pb  Pb3  4  0.0000  0.4179  0.7500  1.0
  Au  Au4  8  0.1717  0.3708  0.4324  1.0
]