data_[Li2Cu6Au12]
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 [P2_1/c]
_cell_length_a [6.9976]
_cell_length_b [6.7168]
_cell_length_c [8.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(CuAu2)3]
_chemical_formula_sum '[Li2 Cu6 Au12]'
_cell_volume [341.9015]
_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  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.2562  0.6689  0.9512  1
  Cu  Cu2  2  0.5000  0.0000  0.0000  1
  Au  Au3  4  0.1248  0.5883  0.1724  1
  Au  Au4  4  0.2404  0.1929  0.3175  1
  Au  Au5  4  0.4808  0.6273  0.7803  1
]