data_Ca2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaIr
_chemical_formula_sum   'Ca2 Ga1 Ir1'
_cell_volume   96.24
_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  0.76  1.0
  Ca  Ca1  1  0.69  0.69  0.73  1.0
  Ga  Ga2  1  0.0  0.0  0.73  1.0
  Ir  Ir3  1  0.69  0.69  0.85  1.0

data_Ca2GaIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2GaIr
_chemical_formula_sum   'Ca4 Ga2 Ir2'
_cell_volume   192.49
_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  0.76  1.0
  Ca  Ca1  2  0.19  0.5  0.73  1.0
  Ga  Ga2  2  0.0  0.0  0.73  1.0
  Ir  Ir3  2  0.19  0.5  0.85  1.0

Ca Ca Ga Ir
Ca Ca Ga Ir 0 2 o o o 1 3 o o o 
CaIrCaGa is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two calcium;gallium molecules and two CaIr clusters. In each CaIr cluster, Ca(2) is bonded in a single-bond geometry to one Ir(1) atom. The Ca(2)-Ir(1) bond length is 1.00 Å. Ir(1) is bonded in a single-bond geometry to one Ca(2) atom.