data_Cd2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.03
_cell_angle_alpha   104.13
_cell_angle_beta   104.13
_cell_angle_gamma   36.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaIr
_chemical_formula_sum   'Cd2 Ga1 Ir1'
_cell_volume   72.5
_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
  Cd  Cd0  1  0.11  0.0  0.02  1.0
  Cd  Cd1  1  0.35  0.0  0.7  1.0
  Ga  Ga2  1  0.0  0.0  0.16  1.0
  Ir  Ir3  1  0.87  0.0  0.4  1.0

data_Cd2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.01
_cell_length_c   5.03
_cell_angle_alpha   104.13
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaIr
_chemical_formula_sum   'Cd2 Ga1 Ir1'
_cell_volume   72.5
_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
  Cd  Cd0  1  0.0  0.65  0.3  1.0
  Cd  Cd1  1  0.0  0.89  0.98  1.0
  Ga  Ga2  1  0.0  1.0  0.84  1.0
  Ir  Ir3  1  0.0  0.13  0.6  1.0

Cd Cd Ga Ir
Cd Cd Ga Ir 0 2 o o o 0 1 o o - 1 2 o o o 1 3 - o o 2 3 - o o 
IrCd2Ga crystallizes in the triclinic P1 space group. Ir(1) is bonded in a distorted single-bond geometry to three equivalent Cd(2) and one Ga(1) atom. There are a spread of Ir(1)-Cd(2) bond distances ranging from 2.51-3.38 Å. The Ir(1)-Ga(1) bond length is 1.48 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Cd(2) and one Ga(1) atom. The Cd(1)-Cd(2) bond length is 2.27 Å. The Cd(1)-Ga(1) bond length is 0.98 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to three equivalent Ir(1), one Cd(1), two equivalent Cd(2), and one Ga(1) atom. Both Cd(2)-Cd(2) bond lengths are 3.14 Å. The Cd(2)-Ga(1) bond length is 2.83 Å. Ga(1) is bonded in a linear geometry to one Ir(1), one Cd(1), and one Cd(2) atom.