data_[Li12Cd2Au4]
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 [7.2499]
_cell_length_b [7.8441]
_cell_length_c [5.0528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6CdAu2]
_chemical_formula_sum '[Li12 Cd2 Au4]'
_cell_volume [285.8838]
_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  8  0.1637  0.3376  0.1696  1.0
  Li  Li1  4  0.0000  0.1718  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.1673  0.5000  0.6657  1.0
]