data_[K12Cd12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9936]
_cell_length_b [11.9198]
_cell_length_c [17.4040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Cd3Au2]
_chemical_formula_sum '[K12 Cd12 Au8]'
_cell_volume [1035.9388]
_cell_formula_units_Z [4]
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
[
  K  K0  8  0.0000  0.0746  0.6066  1.0
  K  K1  4  0.0000  0.3739  0.7500  1.0
  Cd  Cd2  8  0.0000  0.3598  0.5339  1.0
  Cd  Cd3  4  0.0000  0.3260  0.2500  1.0
  Au  Au4  8  0.0000  0.2160  0.1059  1.0
]