data_CaGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaIr2
_chemical_formula_sum   'Ca1 Ga1 Ir2'
_cell_volume   66.35
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.11  0.11  0.0  1.0
  Ir  Ir2  1  0.11  0.0  0.87  1.0
  Ir  Ir3  1  0.0  0.11  0.87  1.0

data_CaGaIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaGaIr2
_chemical_formula_sum   'Ca2 Ga2 Ir4'
_cell_volume   132.7
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.11  0.0  0.0  1.0
  Ir  Ir2  4  0.05  0.05  0.87  1.0

Ca Ga Ir Ir
CaIr2Ga is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaIr2Ga clusters. Ca(1) is bonded in a 3-coordinate geometry to two equivalent Ir(1) and one Ga(1) atom. Both Ca(1)-Ir(1) bond lengths are 0.66 Å. The Ca(1)-Ga(1) bond length is 0.63 Å. Ir(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ir(1), and one Ga(1) atom. The Ir(1)-Ir(1) bond length is 0.63 Å. The Ir(1)-Ga(1) bond length is 0.66 Å. Ga(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ir(1) atoms.