data_[K12Hg12Au8]
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 [Cmcm]
_cell_length_a [4.9266]
_cell_length_b [11.9635]
_cell_length_c [17.2084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Hg3Au2]
_chemical_formula_sum '[K12 Hg12 Au8]'
_cell_volume [1014.2506]
_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  0.0000  0.0752  0.6045  1
  K  K1  4  0.0000  0.3610  0.7500  1
  Hg  Hg2  8  0.0000  0.3671  0.5345  1
  Hg  Hg3  4  0.0000  0.3493  0.2500  1
  Au  Au4  8  0.0000  0.2151  0.1102  1
]