data_K2BaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaAu
_chemical_formula_sum   'K2 Ba1 Au1'
_cell_volume   167.65
_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  0.19  0.19  0.19  1.0
  K  K3  1  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.38  0.38  0.38  1.0
  Au  Au0  1  0.56  0.56  0.56  1.0

data_K2BaAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   15.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2BaAu
_chemical_formula_sum   'K6 Ba3 Au3'
_cell_volume   502.96
_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
  K  K1  3  0.0  0.0  0.81  1.0
  Ba  Ba2  3  0.0  0.0  0.62  1.0
  Au  Au3  3  0.0  0.0  0.44  1.0

K K Ba Au
K2BaAu crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one K(2), one Ba(1), and three equivalent Au(1) atoms. The K(1)-K(2) bond length is 2.85 Å. The K(1)-Ba(1) bond length is 2.85 Å. All K(1)-Au(1) bond lengths are 3.63 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one K(1), three equivalent Ba(1), and three equivalent Au(1) atoms. All K(2)-Ba(1) bond lengths are 3.63 Å. All K(2)-Au(1) bond lengths are 3.89 Å. Ba(1) is bonded in a 1-coordinate geometry to one K(1), three equivalent K(2), and one Au(1) atom. The Ba(1)-Au(1) bond length is 2.85 Å. Au(1) is bonded in a 1-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Ba(1) atom.