data_BaNbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   147.47
_cell_angle_beta   147.47
_cell_angle_gamma   46.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbGa
_chemical_formula_sum   'Ba1 Nb1 Ga1'
_cell_volume   83.5
_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  0.03  1.0
  Nb  Nb2  1  0.0  0.0  0.85  1.0
  Ga  Ga1  1  0.0  0.0  0.27  1.0

data_BaNbGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   113.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNbGa
_chemical_formula_sum   'Ba2 Nb2 Ga2'
_cell_volume   167.0
_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  0.03  0.0  0.03  1.0
  Nb  Nb1  2  0.35  0.5  0.85  1.0
  Ga  Ga2  2  0.27  0.0  0.27  1.0

Ba Nb Ga
BaNbGa is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaNbGa clusters. Ba(1) is bonded in a linear geometry to one Nb(1) and one Ga(1) atom. The Ba(1)-Nb(1) bond length is 1.19 Å. The Ba(1)-Ga(1) bond length is 1.62 Å. Nb(1) is bonded in a single-bond geometry to one Ba(1) atom. Ga(1) is bonded in a single-bond geometry to one Ba(1) atom.