data_Ba2YGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   6.15
_cell_angle_alpha   114.31
_cell_angle_beta   114.31
_cell_angle_gamma   30.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YGa
_chemical_formula_sum   'Ba2 Y1 Ga1'
_cell_volume   158.71
_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  0.08  0.0  0.06  1.0
  Ba  Ba1  1  0.07  0.0  0.87  1.0
  Y  Y3  1  0.84  0.0  0.7  1.0
  Ga  Ga2  1  0.59  0.0  0.71  1.0

data_Ba2YGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   6.15
_cell_length_c   7.44
_cell_angle_alpha   114.31
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YGa
_chemical_formula_sum   'Ba2 Y1 Ga1'
_cell_volume   158.71
_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  0.06  0.08  1.0
  Ba  Ba1  1  0.0  0.87  0.07  1.0
  Y  Y2  1  0.0  0.7  0.84  1.0
  Ga  Ga3  1  0.0  0.71  0.59  1.0

Ba Ba Y Ga
Ba2YGa crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2YGa cluster. 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 1.20 Å. In the second Ba site, Ba(2) is bonded in a distorted water-like geometry to one Ba(1) and one Y(1) atom. The Ba(2)-Y(1) bond length is 1.64 Å. Y(1) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Ga(1) atom. The Y(1)-Ga(1) bond length is 1.87 Å. Ga(1) is bonded in a single-bond geometry to one Y(1) atom.