data_BaGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   133.45
_cell_angle_beta   133.45
_cell_angle_gamma   67.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaIr2
_chemical_formula_sum   'Ba1 Ga1 Ir2'
_cell_volume   81.32
_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  0.13  0.24  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.13  0.0  0.24  1.0
  Ir  Ir3  1  0.0  0.0  0.47  1.0

data_BaGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.39
_cell_angle_alpha   113.27
_cell_angle_beta   113.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaIr2
_chemical_formula_sum   'Ba1 Ga1 Ir2'
_cell_volume   81.32
_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  0.89  0.13  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.53  0.0  0.53  1.0
  Ir  Ir3  1  0.76  0.0  0.89  1.0

Ba Ga Ir Ir
BaIr2Ga crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaIr2Ga cluster. Ba(1) is bonded in a 1-coordinate geometry to one Ir(1), one Ir(2), and one Ga(1) atom. The Ba(1)-Ir(1) bond length is 0.79 Å. The Ba(1)-Ir(2) bond length is 1.84 Å. The Ba(1)-Ga(1) bond length is 0.94 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Ga(1) atom. The Ir(1)-Ga(1) bond length is 0.94 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Ba(1) atom. Ga(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ir(1) atom.