data_[K16Hg4Au4]
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/c]
_cell_length_a [10.6744]
_cell_length_b [15.7128]
_cell_length_c [7.3993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4HgAu]
_chemical_formula_sum '[K16 Hg4 Au4]'
_cell_volume [1075.1107]
_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  0.1162  0.1726  0.5865  1
  K  K1  8  0.2076  0.4345  0.7947  1
  Hg  Hg2  4  0.0000  0.3623  0.2500  1
  Au  Au3  4  0.0000  0.0003  0.2500  1
]