data_BaGa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   4.42
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Au
_chemical_formula_sum   'Ba1 Ga2 Au1'
_cell_volume   108.36
_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  0.83  0.0  0.66  1.0
  Ga  Ga2  1  0.58  0.21  0.6  1.0
  Ga  Ga3  1  0.25  0.0  0.55  1.0
  Au  Au0  1  0.61  0.21  0.74  1.0

data_BaGa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.42
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Au
_chemical_formula_sum   'Ba1 Ga2 Au1'
_cell_volume   108.36
_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  Ba0  1  0.83  0.0  0.66  1.0
  Ga  Ga1  1  0.25  0.0  0.55  1.0
  Ga  Ga2  1  0.58  0.21  0.6  1.0
  Au  Au3  1  0.61  0.21  0.74  1.0

Ba Ga Ga Au
Ba Ga Ga Au 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
BaAuGa2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAuGa2 cluster. Ba(1) is bonded in a 3-coordinate geometry to one Au(1), one Ga(1), and one Ga(2) atom. The Ba(1)-Au(1) bond length is 1.41 Å. The Ba(1)-Ga(1) bond length is 1.33 Å. The Ba(1)-Ga(2) bond length is 1.95 Å. Au(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Ga(1) atom. The Au(1)-Ga(1) bond length is 0.89 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Au(1) atom. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Ba(1) atom.