data_[Li16Cu4Au2]
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 [14.1687]
_cell_length_b [4.0516]
_cell_length_c [5.9871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Cu2Au]
_chemical_formula_sum '[Li16 Cu4 Au2]'
_cell_volume [335.6254]
_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  0.0500  0.0000  0.7431  1.0
  Li  Li1  4  0.0991  0.5000  0.4528  1.0
  Li  Li2  4  0.1380  0.0000  0.1930  1.0
  Li  Li3  4  0.1836  0.5000  0.9080  1.0
  Cu  Cu4  4  0.2285  0.0000  0.6183  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]