data_[Li18Cu3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8995]
_cell_length_b [11.8995]
_cell_length_c [8.3508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6CuAu12]
_chemical_formula_sum '[Li18 Cu3 Au36]'
_cell_volume [1024.0370]
_cell_formula_units_Z [3]
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  18  0.0479  0.8338  0.7493  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0514  0.8158  0.0768  1.0
  Au  Au3  18  0.0590  0.8245  0.4242  1.0
]