data_BiSbRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbRh4
_chemical_formula_sum   'Bi1 Sb1 Rh4'
_cell_volume   107.84
_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  0.89  0.89  0.89  1.0
  Sb  Sb5  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.83  0.83  0.72  1.0
  Rh  Rh2  1  0.83  0.72  0.83  1.0
  Rh  Rh3  1  0.72  0.83  0.83  1.0
  Rh  Rh4  1  0.72  0.72  0.72  1.0

data_BiSbRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   13.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiSbRh4
_chemical_formula_sum   'Bi3 Sb3 Rh12'
_cell_volume   323.52
_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
  Bi  Bi0  3  0.0  0.0  0.11  1.0
  Sb  Sb1  3  0.0  0.0  -0.0  1.0
  Rh  Rh2  9  0.07  0.04  0.2  1.0
  Rh  Rh3  3  0.0  0.0  0.28  1.0

Bi Sb Rh Rh Rh Rh
Bi Sb Rh Rh Rh Rh 0 4 o o o 0 3 o o o 0 2 o o o 0 1 + + + 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
Rh4BiSb crystallizes in the trigonal R3m space group. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Sb(1) atoms. All Rh(2)-Rh(1) bond lengths are 0.99 Å. All Rh(2)-Sb(1) bond lengths are 3.18 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2), two equivalent Rh(1), and one Bi(1) atom. Both Rh(1)-Rh(1) bond lengths are 0.57 Å. The Rh(1)-Bi(1) bond length is 1.26 Å. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rh(1) and one Sb(1) atom. The Bi(1)-Sb(1) bond length is 1.45 Å. Sb(1) is bonded in a distorted single-bond geometry to three equivalent Rh(2) and one Bi(1) atom.