data_[K8Cd8Au4]
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/m]
_cell_length_a [12.5573]
_cell_length_b [4.6876]
_cell_length_c [12.6888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cd2Au]
_chemical_formula_sum '[K8 Cd8 Au4]'
_cell_volume [684.7891]
_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  0.0147  0.0000  0.6628  1
  K  K1  4  0.2020  0.0000  0.1208  1
  Cd  Cd2  4  0.0109  0.5000  0.8874  1
  Cd  Cd3  4  0.1932  0.5000  0.5548  1
  Au  Au4  4  0.1890  0.5000  0.3212  1
]