data_KBaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   126.16
_cell_angle_beta   126.16
_cell_angle_gamma   79.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaGa2
_chemical_formula_sum   'K1 Ba1 Ga2'
_cell_volume   123.05
_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  K3  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.63  0.0  0.23  1.0
  Ga  Ga1  1  0.0  0.0  0.46  1.0
  Ga  Ga2  1  0.0  0.63  0.23  1.0

data_KBaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.8
_cell_angle_alpha   116.92
_cell_angle_beta   116.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaGa2
_chemical_formula_sum   'K1 Ba1 Ga2'
_cell_volume   123.05
_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  K0  1  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.23  0.6  0.6  1.0
  Ga  Ga2  1  0.46  0.46  0.46  1.0
  Ga  Ga3  1  0.6  0.23  0.6  1.0

K Ba Ga Ga
KBaGa2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. The K(1)-Ba(1) bond length is 3.05 Å. There is one shorter (2.65 Å) and one longer (3.15 Å) K(1)-Ga(1) bond length. There is one shorter (3.05 Å) and one longer (3.14 Å) K(1)-Ga(2) bond length. Ba(1) is bonded in a single-bond geometry to one K(1) and one Ga(1) atom. The Ba(1)-Ga(1) bond length is 1.75 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.75 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to two equivalent K(1) and one Ga(1) atom.