data_[K2Hg12Au12]
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 [Immm]
_cell_length_a [5.7962]
_cell_length_b [9.9789]
_cell_length_c [10.0206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(HgAu)6]
_chemical_formula_sum '[K2 Hg12 Au12]'
_cell_volume [579.5917]
_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  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.0000  0.0000  0.3475  1.0
  Hg  Hg2  4  0.0000  0.3112  0.5000  1.0
  Hg  Hg3  4  0.0000  0.3487  0.0000  1.0
  Au  Au4  8  0.2500  0.2500  0.2500  1.0
  Au  Au5  4  0.0000  0.5000  0.2731  1.0
]