data_[K6Au6]
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 [Cm]
_cell_length_a [12.0907]
_cell_length_b [4.3578]
_cell_length_c [7.6040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KAu]
_chemical_formula_sum '[K6 Au6]'
_cell_volume [371.8031]
_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
[
  K  K0  2  0.0179  0.0000  0.0731  1.0
  K  K1  2  0.0195  0.0000  0.5100  1.0
  K  K2  2  0.2222  0.5000  0.8869  1.0
  Au  Au3  2  0.2242  0.5000  0.4309  1.0
  Au  Au4  2  0.3104  0.0000  0.2523  1.0
  Au  Au5  2  0.3725  0.0000  0.6801  1.0
]