data_[K8Hg20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.5714]
_cell_length_b [14.2737]
_cell_length_c [6.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K2Hg5Au3]
_chemical_formula_sum '[K8 Hg20 Au12]'
_cell_volume [1107.9651]
_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  0.2189  0.3510  0.5000  1.0
  Hg  Hg1  8  0.0000  0.2041  0.2500  1.0
  Hg  Hg2  8  0.1802  0.0806  0.5000  1.0
  Hg  Hg3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.0937  0.3497  0.0000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]