data_[K6Hg8Au4]
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 [C2/m]
_cell_length_a [11.7614]
_cell_length_b [5.2374]
_cell_length_c [9.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(Hg2Au)2]
_chemical_formula_sum '[K6 Hg8 Au4]'
_cell_volume [547.2659]
_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  4  0.1452  0.5000  0.6754  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0942  0.0000  0.4143  1
  Hg  Hg3  4  0.2214  0.5000  0.0663  1
  Au  Au4  4  0.1427  0.5000  0.3097  1
]