data_[Li8Cu2Au14]
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 [C2/m]
_cell_length_a [10.4321]
_cell_length_b [4.9427]
_cell_length_c [9.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4CuAu7]
_chemical_formula_sum '[Li8 Cu2 Au14]'
_cell_volume [436.9906]
_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  0.0949  0.5000  0.7752  1
  Li  Li1  4  0.2126  0.0000  0.6489  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0740  0.0000  0.3077  1
  Au  Au4  4  0.1345  0.5000  0.5111  1
  Au  Au5  4  0.2092  0.0000  0.9190  1
  Au  Au6  2  0.0000  0.5000  0.0000  1
]