data_Ba2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41
_cell_length_b   10.41
_cell_length_c   10.41
_cell_angle_alpha   24.27
_cell_angle_beta   24.27
_cell_angle_gamma   24.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdGa
_chemical_formula_sum   'Ba2 Cd1 Ga1'
_cell_volume   167.57
_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  0.0  0.0  0.56  1.0
  Ba  Ba1  1  0.0  0.0  0.74  1.0
  Cd  Cd2  1  0.0  0.0  0.15  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

data_Ba2CdGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.58
_cell_length_b   4.38
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   104.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2CdGa
_chemical_formula_sum   'Ba4 Cd2 Ga2'
_cell_volume   335.13
_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  2  -0.0  0.0  0.44  1.0
  Ba  Ba1  2  -0.0  0.0  0.26  1.0
  Cd  Cd2  2  0.0  0.0  0.85  1.0
  Ga  Ga3  2  0.0  0.0  0.0  1.0

Ba Ba Cd Ga
Ba2CdGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2CdGa clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Ba(2) atom. The Ba(1)-Ba(2) bond length is 1.85 Å. In the second Ba site, Ba(2) is bonded in a linear geometry to one Ba(1) and one Ga(1) atom. The Ba(2)-Ga(1) bond length is 2.71 Å. Cd(1) is bonded in a single-bond geometry to one Ga(1) atom. The Cd(1)-Ga(1) bond length is 1.57 Å. Ga(1) is bonded in a linear geometry to one Ba(2) and one Cd(1) atom.