data_[K20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.3726]
_cell_length_b [7.5357]
_cell_length_c [9.0131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K5Au2]
_chemical_formula_sum '[K20 Au8]'
_cell_volume [1235.6628]
_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  0.0872  0.1258  0.9235  1
  K  K1  8  0.2205  0.4228  0.3246  1
  K  K2  4  0.0000  0.4140  0.2500  1
  Au  Au3  8  0.1029  0.2930  0.5785  1
]