data_KIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2Rh
_chemical_formula_sum   'K1 Ir2 Rh1'
_cell_volume   71.76
_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
  K  K2  1  0.0  0.0  0.57  1.0
  Ir  Ir0  1  0.0  0.0  0.01  1.0
  Ir  Ir1  1  0.4  0.4  0.8  1.0
  Rh  Rh3  1  0.4  0.4  0.34  1.0

data_KIr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KIr2Rh
_chemical_formula_sum   'K2 Ir4 Rh2'
_cell_volume   143.52
_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
  K  K0  2  0.0  0.0  0.57  1.0
  Ir  Ir1  2  0.0  0.0  0.01  1.0
  Ir  Ir2  2  0.4  0.0  0.8  1.0
  Rh  Rh3  2  0.4  0.0  0.34  1.0

K Ir Ir Rh
K Ir Ir Rh 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 1 2 - - - 1 2 - o - 1 2 o - - 1 2 o o - 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
KIr2Rh crystallizes in the monoclinic Cm space group. K(1) is bonded in a 12-coordinate geometry to four equivalent K(1), four equivalent Ir(2), and four equivalent Rh(1) atoms. All K(1)-K(1) bond lengths are 2.80 Å. There are a spread of K(1)-Ir(2) bond distances ranging from 2.66-3.19 Å. There are a spread of K(1)-Rh(1) bond distances ranging from 2.60-3.14 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), and one Rh(1) atom. All Ir(1)-Ir(1) bond lengths are 2.80 Å. There are a spread of Ir(1)-Ir(2) bond distances ranging from 2.48-3.05 Å. The Ir(1)-Rh(1) bond length is 3.44 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to four equivalent K(1) and four equivalent Ir(1) atoms. Rh(1) is bonded in a 3-coordinate geometry to four equivalent K(1) and one Ir(1) atom.