data_[Li4Pb16Au2]
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/m]
_cell_length_a [19.5967]
_cell_length_b [4.9059]
_cell_length_c [6.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pb8Au]
_chemical_formula_sum '[Li4 Pb16 Au2]'
_cell_volume [624.1711]
_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  0.1913  0.0000  0.7552  1.0
  Pb  Pb1  4  0.0303  0.0000  0.7601  1.0
  Pb  Pb2  4  0.1076  0.5000  0.4457  1.0
  Pb  Pb3  4  0.1478  0.5000  0.9707  1.0
  Pb  Pb4  4  0.2120  0.0000  0.3105  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]