data_[Li10Pb2Au12]
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 [Cmmm]
_cell_length_a [4.4890]
_cell_length_b [13.5349]
_cell_length_c [6.7690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li5PbAu6]
_chemical_formula_sum '[Li10 Pb2 Au12]'
_cell_volume [411.2681]
_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  0.0000  0.3349  0.0000  1.0
  Li  Li1  4  0.0000  0.3364  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  8  0.0000  0.1795  0.2619  1.0
  Au  Au5  4  0.0000  0.5000  0.2842  1.0
]