data_[K16Hg4Au2]
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 [22.0396]
_cell_length_b [6.0293]
_cell_length_c [8.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8Hg2Au]
_chemical_formula_sum '[K16 Hg4 Au2]'
_cell_volume [1075.2193]
_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  0.0274  0.0000  0.8008  1.0
  K  K1  4  0.0908  0.5000  0.4243  1.0
  K  K2  4  0.1574  0.5000  0.9643  1.0
  K  K3  4  0.2141  0.0000  0.3119  1.0
  Hg  Hg4  4  0.1793  0.0000  0.7079  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]