data_[K4Cd40Au8]
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 [Fmmm]
_cell_length_a [6.0181]
_cell_length_b [14.0222]
_cell_length_c [14.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K(Cd5Au)2]
_chemical_formula_sum '[K4 Cd40 Au8]'
_cell_volume [1214.4803]
_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  4  0.0000  0.0000  0.0000  1
  Cd  Cd1  16  0.0000  0.1112  0.3925  1
  Cd  Cd2  16  0.0000  0.1794  0.1706  1
  Cd  Cd3  8  0.2500  0.0000  0.2500  1
  Au  Au4  8  0.2500  0.2500  0.0000  1
]