data_KGaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   149.14
_cell_angle_beta   149.14
_cell_angle_gamma   44.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaIr
_chemical_formula_sum   'K1 Ga1 Ir1'
_cell_volume   72.88
_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  0.0  0.0  1.0  1.0
  Ga  Ga0  1  0.0  0.0  0.85  1.0
  Ir  Ir1  1  0.0  0.0  0.25  1.0

data_KGaIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KGaIr
_chemical_formula_sum   'K2 Ga2 Ir2'
_cell_volume   145.76
_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  0.5  0.5  1.0  1.0
  Ga  Ga1  2  0.35  0.5  0.85  1.0
  Ir  Ir2  2  0.25  0.0  0.25  1.0

K Ga Ir
K Ga Ir 0 1 o o o 0 2 o o + 
KIrGa is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KIrGa clusters. K(1) is bonded in a linear geometry to one Ir(1) and one Ga(1) atom. The K(1)-Ir(1) bond length is 1.65 Å. The K(1)-Ga(1) bond length is 0.97 Å. Ir(1) is bonded in a single-bond geometry to one K(1) atom. Ga(1) is bonded in a single-bond geometry to one K(1) atom.