data_AsIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As1 Ir2 Ru1'
_cell_volume   58.59
_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  0.39  1.0
  Ir  Ir1  1  0.42  0.42  0.16  1.0
  Ir  Ir2  1  0.0  0.0  0.85  1.0
  Ru  Ru3  1  0.42  0.42  0.67  1.0

data_AsIr2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsIr2Ru
_chemical_formula_sum   'As2 Ir4 Ru2'
_cell_volume   117.19
_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
  As  As0  2  0.0  0.0  0.39  1.0
  Ir  Ir1  2  0.0  0.0  0.85  1.0
  Ir  Ir2  2  0.42  0.0  0.16  1.0
  Ru  Ru3  2  0.42  0.0  0.67  1.0

As Ir Ir Ru
As Ir Ir Ru 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 1 2 o o - 1 2 o + - 1 2 + o - 1 1 + o o 1 1 o + o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
RuIr2As crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to four equivalent Ru(1); four equivalent Ir(2); and four As(1,1) atoms. All Ru(1)-Ru(1) bond lengths are 2.85 Å. There are a spread of Ru(1)-Ir(2) bond distances ranging from 2.18-2.69 Å. There are a spread of Ru(1)-As(1,1) bond distances ranging from 2.60-3.04 Å. In the second Ru site, Ru(1) is bonded in a 12-coordinate geometry to four equivalent Ru(1); four equivalent Ir(2); and four As(1,1) atoms. There are a spread of Ru(1)-Ir(2) bond distances ranging from 2.18-2.69 Å. There are a spread of Ru(1)-As(1,1) bond distances ranging from 2.60-3.04 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 12-coordinate geometry to four equivalent Ir(1); four equivalent Ir(2); and four As(1,1) atoms. All Ir(1)-Ir(1) bond lengths are 2.85 Å. There are a spread of Ir(1)-Ir(2) bond distances ranging from 2.82-3.23 Å. There are a spread of Ir(1)-As(1,1) bond distances ranging from 2.38-2.86 Å. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to four Ru(1,1); four equivalent Ir(1); and four equivalent Ir(2) atoms. All Ir(2)-Ir(2) bond lengths are 2.85 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to four Ru(1,1); four equivalent Ir(1); and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AsAs4Ir4Ru4 cuboctahedra. All As(1)-As(1) bond lengths are 2.85 Å. In the second As site, As(1) is bonded to four Ru(1,1); four equivalent Ir(1); and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AsAs4Ir4Ru4 cuboctahedra.