data_Ba2GaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaAu
_chemical_formula_sum   'Ba2 Ga1 Au1'
_cell_volume   136.21
_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
  Ba  Ba1  1  0.0  0.92  0.48  1.0
  Ba  Ba2  1  0.92  0.0  0.48  1.0
  Ga  Ga3  1  0.0  0.0  0.49  1.0
  Au  Au0  1  0.92  0.92  0.54  1.0

data_Ba2GaAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2GaAu
_chemical_formula_sum   'Ba4 Ga2 Au2'
_cell_volume   272.42
_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
  Ba  Ba0  4  0.46  0.46  0.48  1.0
  Ga  Ga1  2  0.0  0.0  0.49  1.0
  Au  Au2  2  0.42  0.5  0.54  1.0

Ba Ba Ga Au
Ba Ba Ga Au 0 3 - o o 0 2 o + o 1 3 o - o 1 2 + o o 
Ba2AuGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2AuGa clusters. Ba(1) is bonded in an L-shaped geometry to one Au(1) and one Ga(1) atom. The Ba(1)-Au(1) bond length is 0.54 Å. The Ba(1)-Ga(1) bond length is 0.48 Å. Au(1) is bonded in a distorted L-shaped geometry to two equivalent Ba(1) atoms. Ga(1) is bonded in an L-shaped geometry to two equivalent Ba(1) atoms.