data_AlCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   148.16
_cell_angle_beta   126.16
_cell_angle_gamma   63.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdIr2
_chemical_formula_sum   'Al1 Cd1 Ir2'
_cell_volume   62.92
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.5  1.0
  Ir  Ir2  1  0.46  0.0  0.03  1.0
  Ir  Ir3  1  0.0  0.4  0.47  1.0

data_AlCdIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.8
_cell_length_c   5.3
_cell_angle_alpha   116.92
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdIr2
_chemical_formula_sum   'Al1 Cd1 Ir2'
_cell_volume   62.92
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.5  0.5  1.0
  Ir  Ir2  1  0.0  0.03  0.58  1.0
  Ir  Ir3  1  0.6  0.06  0.06  1.0

Al Cd Ir Ir
Al Cd Ir Ir 0 3 o o o 0 1 o o o 0 1 o o - 0 2 o o o 1 3 o o o 1 2 - o o 1 2 o o + 1 1 o + + 2 3 o - - 2 3 + o o 2 2 o + + 
Ir2CdAl crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Al(1) atom. There is one shorter (2.40 Å) and one longer (2.46 Å) Ir(1)-Cd(1) bond length. The Ir(1)-Al(1) bond length is 2.31 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one Cd(1) and two equivalent Al(1) atoms. The Ir(2)-Cd(1) bond length is 2.29 Å. There is one shorter (1.31 Å) and one longer (1.68 Å) Ir(2)-Al(1) bond length. Cd(1) is bonded in a 3-coordinate geometry to one Ir(2) and two equivalent Ir(1) atoms. Al(1) is bonded in a 2-coordinate geometry to one Ir(1) and two equivalent Ir(2) atoms.