data_AsIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   30.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrRu2
_chemical_formula_sum   'As1 Ir1 Ru2'
_cell_volume   58.08
_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
  As  As0  1  0.0  0.0  0.76  1.0
  Ir  Ir1  1  0.98  0.0  0.29  1.0
  Ru  Ru2  1  0.0  0.0  0.75  1.0
  Ru  Ru3  1  0.98  0.0  0.95  1.0

data_AsIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.96
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrRu2
_chemical_formula_sum   'As1 Ir1 Ru2'
_cell_volume   58.08
_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
  As  As0  1  0.24  0.0  0.24  1.0
  Ru  Ru1  1  0.05  0.98  0.05  1.0
  Ru  Ru2  1  0.25  0.0  0.25  1.0
  Ir  Ir3  1  0.71  0.98  0.71  1.0

As Ir Ru Ru
As Ir Ru Ru 0 2 o o o 0 3 - o o 1 3 o o - 2 3 - o o 
Ru2IrAs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ru2IrAs cluster. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one As(1) atom. The Ru(1)-As(1) bond length is 0.02 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Ir(1) and one As(1) atom. The Ru(2)-Ir(1) bond length is 1.86 Å. The Ru(2)-As(1) bond length is 1.02 Å. Ir(1) is bonded in a 1-coordinate geometry to one Ru(2) atom. As(1) is bonded in a distorted linear geometry to one Ru(1) and one Ru(2) atom.