data_[Li2Cu2Au6]
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/m]
_cell_length_a [4.3182]
_cell_length_b [7.4356]
_cell_length_c [5.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuAu3]
_chemical_formula_sum '[Li2 Cu2 Au6]'
_cell_volume [170.3786]
_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  0.2437  0.7500  0.2446  1
  Cu  Cu1  2  0.2567  0.2500  0.4902  1
  Au  Au2  4  0.2442  0.5626  0.7036  1
  Au  Au3  2  0.2572  0.2500  0.0075  1
]