data_[K6Rb18Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [9.5058]
_cell_length_b [9.5058]
_cell_length_c [23.0532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [KRb3Au2]
_chemical_formula_sum '[K6 Rb18 Au12]'
_cell_volume [1803.9917]
_cell_formula_units_Z [6]
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
[
  Rb  Rb0  18  0.0000  0.2679  0.7500  1
  K  K1  6  0.0000  0.0000  0.0000  1
  Au  Au2  12  0.0000  0.0000  0.1429  1
]