data_KBaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   150.46
_cell_angle_beta   150.46
_cell_angle_gamma   42.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaAu
_chemical_formula_sum   'K1 Ba1 Au1'
_cell_volume   131.66
_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  0.56  1.0
  Ba  Ba1  1  0.0  0.0  0.43  1.0
  Au  Au0  1  0.0  0.0  0.23  1.0

data_KBaAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBaAu
_chemical_formula_sum   'K2 Ba2 Au2'
_cell_volume   263.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.5  0.56  1.0
  Ba  Ba1  2  0.43  0.0  0.43  1.0
  Au  Au2  2  0.23  0.0  0.23  1.0

K Ba Au
K Ba Au 0 1 o o o 1 2 o o o 
KBaAu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KBaAu clusters. K(1) is bonded in a single-bond geometry to one Ba(1) atom. The K(1)-Ba(1) bond length is 1.04 Å. Ba(1) is bonded in a distorted linear geometry to one K(1) and one Au(1) atom. The Ba(1)-Au(1) bond length is 1.60 Å. Au(1) is bonded in a single-bond geometry to one Ba(1) atom.