data_Al5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Rh
_chemical_formula_sum   'Al5 Rh1'
_cell_volume   95.69
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.72  0.72  0.72  1.0
  Al  Al2  1  0.54  0.72  0.54  1.0
  Al  Al3  1  0.54  0.54  0.72  1.0
  Al  Al4  1  0.72  0.54  0.54  1.0
  Rh  Rh5  1  0.45  0.45  0.45  1.0

data_Al5Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al5Rh
_chemical_formula_sum   'Al15 Rh3'
_cell_volume   287.08
_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
  Al  Al0  9  0.06  0.12  0.4  1.0
  Al  Al1  3  0.0  0.0  -0.0  1.0
  Al  Al2  3  0.0  0.0  0.28  1.0
  Rh  Rh3  3  0.0  0.0  0.55  1.0

Al Al Al Al Al Rh
Al Al Al Al Al Rh 0 1 - - - 0 1 - - o 0 1 - o - 0 1 o - - 0 4 - - o 0 4 - o - 0 2 - - o 0 2 o - - 0 3 - o - 0 3 o - - 0 5 - o o 0 5 o - o 0 5 o o - 1 4 o o o 1 3 o o o 1 2 o o o 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 
RhAl5 crystallizes in the trigonal R3m space group. Rh(1) is bonded in a 12-coordinate geometry to three equivalent Al(1), three equivalent Al(2), and six equivalent Al(3) atoms. All Rh(1)-Al(1) bond lengths are 3.28 Å. All Rh(1)-Al(2) bond lengths are 3.05 Å. There are three shorter (2.01 Å) and three longer (3.31 Å) Rh(1)-Al(3) bond lengths. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to three equivalent Rh(1), three equivalent Al(2), and six equivalent Al(3) atoms. All Al(1)-Al(2) bond lengths are 3.05 Å. All Al(1)-Al(3) bond lengths are 2.86 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to three equivalent Rh(1), three equivalent Al(1), and three equivalent Al(3) atoms. All Al(2)-Al(3) bond lengths are 1.63 Å. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to two equivalent Rh(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. Both Al(3)-Al(3) bond lengths are 0.94 Å.