data_[Li8Cd4Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7147]
_cell_length_b [4.0104]
_cell_length_c [6.4568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Cd2Au3]
_chemical_formula_sum '[Li8 Cd4 Au6]'
_cell_volume [309.0793]
_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  0.0447  0.5000  0.3340  1
  Li  Li1  4  0.2226  0.0000  0.3422  1
  Cd  Cd2  4  0.1635  0.5000  0.0100  1
  Au  Au3  4  0.1160  0.0000  0.6455  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]