data_AlSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbIr2
_chemical_formula_sum   'Al1 Sb1 Ir2'
_cell_volume   64.62
_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
  Sb  Sb3  1  0.96  0.0  0.0  1.0
  Ir  Ir1  1  0.48  0.21  0.53  1.0
  Ir  Ir2  1  0.48  0.79  0.53  1.0

data_AlSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   100.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbIr2
_chemical_formula_sum   'Al1 Sb1 Ir2'
_cell_volume   64.62
_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
  Sb  Sb1  1  0.0  0.96  0.0  1.0
  Ir  Ir2  1  0.53  0.48  0.21  1.0
  Ir  Ir3  1  0.53  0.48  0.79  1.0

Al Sb Ir Ir
Al Sb Ir Ir 0 1 - o o 2 3 o - o 
Ir2AlSb crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Al(1), and two equivalent Sb(1) atoms. Both Ir(1)-Ir(1) bond lengths are 3.05 Å. There is one shorter (1.99 Å) and one longer (2.65 Å) Ir(1)-Ir(2) bond length. There is one shorter (2.69 Å) and one longer (2.79 Å) Ir(1)-Al(1) bond length. There is one shorter (2.98 Å) and one longer (3.07 Å) Ir(1)-Sb(1) bond length. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Al(1), and two equivalent Sb(1) atoms. Both Ir(2)-Ir(2) bond lengths are 3.05 Å. There is one shorter (2.98 Å) and one longer (3.07 Å) Ir(2)-Al(1) bond length. There is one shorter (2.69 Å) and one longer (2.79 Å) Ir(2)-Sb(1) bond length. Al(1) is bonded in a single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one Sb(1) atom. The Al(1)-Sb(1) bond length is 0.17 Å. Sb(1) is bonded in a single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one Al(1) atom.