data_KCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   16.21
_cell_angle_beta   16.21
_cell_angle_gamma   16.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuRh2
_chemical_formula_sum   'K1 Cu1 Rh2'
_cell_volume   66.33
_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  K1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.68  1.0
  Rh  Rh2  1  0.0  0.0  0.38  1.0
  Rh  Rh3  1  0.0  0.0  0.99  1.0

data_KCuRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   2.8
_cell_length_c   9.92
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCuRh2
_chemical_formula_sum   'K2 Cu2 Rh4'
_cell_volume   132.66
_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  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.32  1.0
  Rh  Rh2  2  0.0  0.0  0.01  1.0
  Rh  Rh3  2  0.0  0.0  0.62  1.0

K Cu Rh Rh
K Cu Rh Rh 0 3 o o - 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
KRh2Cu crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Rh(1) and one Rh(2) atom. The K(1)-Rh(1) bond length is 3.80 Å. The K(1)-Rh(2) bond length is 0.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to one K(1), six equivalent Rh(1), and one Cu(1) atom to form distorted RhKCuRh6 hexagonal bipyramids that share corners with six equivalent Rh(1)KCuRh6 hexagonal bipyramids, edges with six equivalent Cu(1)Cu6Rh2 hexagonal bipyramids, and edges with twelve equivalent Rh(1)KCuRh6 hexagonal bipyramids. All Rh(1)-Rh(1) bond lengths are 2.80 Å. The Rh(1)-Cu(1) bond length is 2.99 Å. In the second Rh site, Rh(2) is bonded in a single-bond geometry to one K(1) and one Cu(1) atom. The Rh(2)-Cu(1) bond length is 2.99 Å. Cu(1) is bonded to one Rh(1), one Rh(2), and six equivalent Cu(1) atoms to form distorted CuCu6Rh2 hexagonal bipyramids that share corners with six equivalent Cu(1)Cu6Rh2 hexagonal bipyramids, edges with six equivalent Rh(1)KCuRh6 hexagonal bipyramids, and edges with twelve equivalent Cu(1)Cu6Rh2 hexagonal bipyramids. All Cu(1)-Cu(1) bond lengths are 2.80 Å.