data_[Li2Cu4Au12]
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 [P-1]
_cell_length_a [4.9803]
_cell_length_b [7.6936]
_cell_length_c [8.2537]
_cell_angle_alpha [72.1580]
_cell_angle_beta [86.9606]
_cell_angle_gamma [78.8440]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(CuAu3)2]
_chemical_formula_sum '[Li2 Cu4 Au12]'
_cell_volume [295.3457]
_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  2  0.2084  0.8622  0.1127  1
  Cu  Cu1  2  0.1472  0.4635  0.2227  1
  Cu  Cu2  2  0.4677  0.7997  0.5564  1
  Au  Au3  2  0.0287  0.6917  0.4384  1
  Au  Au4  2  0.1018  0.0872  0.3392  1
  Au  Au5  2  0.2282  0.2506  0.9937  1
  Au  Au6  2  0.3074  0.6414  0.8884  1
  Au  Au7  2  0.3614  0.0247  0.7729  1
  Au  Au8  2  0.4307  0.4157  0.6700  1
]