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 [Pmma]
_cell_length_a [5.7146]
_cell_length_b [5.6498]
_cell_length_c [13.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [KAu]
_chemical_formula_sum '[K6 Au6]'
_cell_volume [446.6974]
_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  0.2500  0.0000  0.3774  1.0
  K  K1  2  0.2500  0.0000  0.9207  1.0
  K  K2  2  0.2500  0.5000  0.7466  1.0
  Au  Au3  4  0.2500  0.2508  0.1602  1.0
  Au  Au4  2  0.0000  0.5000  0.0000  1.0
]