data_KSnHgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnHgAu
_chemical_formula_sum   'K1 Sn1 Hg1 Au1'
_cell_volume   102.06
_cell_formula_units_Z   1
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  K2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.56  0.56  0.56  1.0
  Hg  Hg1  1  0.85  0.85  0.85  1.0
  Au  Au0  1  0.71  0.71  0.71  1.0

data_KSnHgAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSnHgAu
_chemical_formula_sum   'K3 Sn3 Hg3 Au3'
_cell_volume   306.17
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.44  1.0
  Hg  Hg2  3  0.0  0.0  0.15  1.0
  Au  Au3  3  0.0  0.0  0.29  1.0

K Sn Hg Au
K Sn Hg Au 0 2 - - - 1 3 o o o 2 3 o o o 
KAuHgSn crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Au(1) and one Hg(1) atom. All K(1)-Au(1) bond lengths are 3.08 Å. The K(1)-Hg(1) bond length is 1.87 Å. Au(1) is bonded in a distorted linear geometry to three equivalent K(1), one Hg(1), and one Sn(1) atom. The Au(1)-Hg(1) bond length is 1.87 Å. The Au(1)-Sn(1) bond length is 1.87 Å. Hg(1) is bonded in a linear geometry to one K(1) and one Au(1) atom. Sn(1) is bonded in a single-bond geometry to one Au(1) atom.