data_[K6Rb6Au8]
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 [Amm2]
_cell_length_a [5.0113]
_cell_length_b [12.5698]
_cell_length_c [12.4353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K3Rb3Au4]
_chemical_formula_sum '[K6 Rb6 Au8]'
_cell_volume [783.3192]
_cell_formula_units_Z [2]
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  0.2487  0.2500  1
  Rb  Rb1  4  0.5000  0.1648  0.4993  1
  K  K2  2  0.5000  0.0000  0.1632  1
  Rb  Rb3  2  0.5000  0.0000  0.8366  1
  Au  Au4  4  0.0000  0.1164  0.0045  1
  Au  Au5  2  0.0000  0.0000  0.3772  1
  Au  Au6  2  0.0000  0.0000  0.6154  1
]