data_CuRh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRh7
_chemical_formula_sum   'Cu1 Rh7'
_cell_volume   111.86
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.91  0.91  0.0  1.0
  Rh  Rh2  1  0.91  0.0  0.91  1.0
  Rh  Rh3  1  0.82  0.91  0.91  1.0
  Rh  Rh4  1  0.0  0.91  0.91  1.0
  Rh  Rh5  1  0.91  0.82  0.91  1.0
  Rh  Rh6  1  0.91  0.91  0.82  1.0
  Rh  Rh7  1  0.82  0.82  0.82  1.0

data_CuRh7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   13.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuRh7
_chemical_formula_sum   'Cu3 Rh21'
_cell_volume   335.59
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Rh  Rh1  9  0.03  0.06  0.06  1.0
  Rh  Rh2  9  0.06  0.03  0.12  1.0
  Rh  Rh3  3  0.0  0.0  0.18  1.0

Cu Rh Rh Rh Rh Rh Rh Rh
(Rh)4Rh3Cu is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Rh clusters and three Rh3Cu clusters. In each Rh cluster, there are two inequivalent Rh sites. In the first Rh site, Rh(3) is bonded in a 3-coordinate geometry to three equivalent Rh(2) atoms. All Rh(3)-Rh(2) bond lengths are 0.82 Å. In the second Rh site, Rh(2) is bonded in a 2-coordinate geometry to one Rh(3) and two equivalent Rh(2) atoms. Both Rh(2)-Rh(2) bond lengths are 0.48 Å. In each Rh3Cu cluster, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Rh(1) and one Cu(1) atom. Both Rh(1)-Rh(1) bond lengths are 0.48 Å. The Rh(1)-Cu(1) bond length is 0.82 Å. Cu(1) is bonded in a 3-coordinate geometry to three equivalent Rh(1) atoms.