data_AlIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrRu2
_chemical_formula_sum   'Al1 Ir1 Ru2'
_cell_volume   57.51
_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
  Ir  Ir1  1  0.0  0.0  0.38  1.0
  Ru  Ru2  1  0.4  0.0  0.67  1.0
  Ru  Ru3  1  0.4  0.0  0.09  1.0

data_AlIrRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.73
_cell_length_b   4.81
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIrRu2
_chemical_formula_sum   'Al2 Ir2 Ru4'
_cell_volume   115.05
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.38  1.0
  Ru  Ru2  2  0.4  0.0  0.09  1.0
  Ru  Ru3  2  0.4  0.0  0.67  1.0

Al Ir Ru Ru
Al Ir Ru Ru 0 3 o o o 0 2 o o - 1 1 + + o 1 1 o + o 1 1 + o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 2 2 + + o 2 2 o + o 2 2 + o o 
Ru2IrAl crystallizes in the triclinic P1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 10-coordinate geometry to six equivalent Ru(1), two equivalent Ir(1), and two equivalent Al(1) atoms. There are four shorter (2.73 Å) and two longer (2.80 Å) Ru(1)-Ru(1) bond lengths. There is one shorter (2.75 Å) and one longer (3.01 Å) Ru(1)-Ir(1) bond length. There is one shorter (3.12 Å) and one longer (3.36 Å) Ru(1)-Al(1) bond length. In the second Ru site, Ru(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ir(1) and two equivalent Al(1) atoms. There is one shorter (2.75 Å) and one longer (3.01 Å) Ru(2)-Ir(1) bond length. There is one shorter (1.34 Å) and one longer (1.82 Å) Ru(2)-Al(1) bond length. Ir(1) is bonded in a 10-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), and six equivalent Ir(1) atoms. There are four shorter (2.73 Å) and two longer (2.80 Å) Ir(1)-Ir(1) bond lengths. Al(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ru(1) and two equivalent Ru(2) atoms.