data_BiIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Ru
_chemical_formula_sum   'Bi1 Ir2 Ru1'
_cell_volume   69.9
_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
  Bi  Bi0  1  0.0  0.0  0.04  1.0
  Ir  Ir1  1  0.47  0.47  0.38  1.0
  Ir  Ir2  1  0.47  0.47  0.7  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_BiIr2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiIr2Ru
_chemical_formula_sum   'Bi2 Ir4 Ru2'
_cell_volume   139.8
_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
  Bi  Bi0  2  0.0  0.0  0.04  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.47  0.0  0.38  1.0
  Ir  Ir3  2  0.47  0.0  0.7  1.0

Bi Ir Ir Ru
RuIr2Bi crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a single-bond geometry to four equivalent Ir(2) and one Bi(1) atom. There are a spread of Ru(1)-Ir(2) bond distances ranging from 3.11-3.27 Å. The Ru(1)-Bi(1) bond length is 0.32 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ir(2), four equivalent Ir(1), and four equivalent Bi(1) atoms. The Ir(1)-Ir(2) bond length is 2.61 Å. All Ir(1)-Ir(1) bond lengths are 2.94 Å. There are a spread of Ir(1)-Bi(1) bond distances ranging from 3.36-3.51 Å. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to four equivalent Ru(1), one Ir(1), and four equivalent Ir(2) atoms. All Ir(2)-Ir(2) bond lengths are 2.94 Å. Bi(1) is bonded in a single-bond geometry to one Ru(1) and four equivalent Ir(1) atoms.