data_[K16Cd4Au4]
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 [C2/c]
_cell_length_a [10.7028]
_cell_length_b [15.9558]
_cell_length_c [7.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4CdAu]
_chemical_formula_sum '[K16 Cd4 Au4]'
_cell_volume [1123.0777]
_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  0.1134  0.1707  0.5787  1.0
  K  K1  8  0.2115  0.4319  0.8135  1.0
  Cd  Cd2  4  0.0000  0.3650  0.2500  1.0
  Au  Au3  4  0.0000  0.0004  0.2500  1.0
]