data_K2BaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaGa
_chemical_formula_sum   'K2 Ba1 Ga1'
_cell_volume   205.72
_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
  K  K2  1  0.14  0.14  0.48  1.0
  K  K3  1  0.0  0.0  0.83  1.0
  Ba  Ba0  1  0.14  0.14  0.57  1.0
  Ga  Ga1  1  0.0  0.0  0.2  1.0

data_K2BaGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BaGa
_chemical_formula_sum   'K4 Ba2 Ga2'
_cell_volume   411.44
_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
  K  K0  2  0.0  0.0  0.83  1.0
  K  K1  2  0.14  0.0  0.48  1.0
  Ba  Ba2  2  0.14  0.0  0.57  1.0
  Ga  Ga3  2  0.0  0.0  0.2  1.0

K K Ba Ga
K2BaGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2BaGa clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to one Ba(1) and one Ga(1) atom. The K(1)-Ba(1) bond length is 0.98 Å. The K(1)-Ga(1) bond length is 3.34 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Ba(1) atom. The K(2)-Ba(1) bond length is 3.05 Å. Ba(1) is bonded in a distorted single-bond geometry to one K(1) and one K(2) atom. Ga(1) is bonded in a single-bond geometry to one K(1) atom.