data_AlRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh4
_chemical_formula_sum   'Al4 Rh16'
_cell_volume   316.5
_cell_formula_units_Z   4
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  0.72  0.28  0.28  1.0
  Al  Al1  1  0.28  0.72  0.28  1.0
  Al  Al2  1  0.28  0.28  0.72  1.0
  Al  Al3  1  0.01  0.01  0.01  1.0
  Rh  Rh4  1  0.3  0.7  0.7  1.0
  Rh  Rh5  1  0.7  0.3  0.7  1.0
  Rh  Rh6  1  0.7  0.7  0.3  1.0
  Rh  Rh7  1  0.6  0.6  0.6  1.0
  Rh  Rh8  1  0.87  0.0  0.0  1.0
  Rh  Rh9  1  0.71  0.0  0.0  1.0
  Rh  Rh10  1  0.0  0.71  0.0  1.0
  Rh  Rh11  1  0.0  0.87  0.0  1.0
  Rh  Rh12  1  0.0  0.0  0.71  1.0
  Rh  Rh13  1  0.0  0.0  0.87  1.0
  Rh  Rh14  1  0.15  0.29  0.0  1.0
  Rh  Rh15  1  0.15  0.0  0.29  1.0
  Rh  Rh16  1  0.29  0.15  0.0  1.0
  Rh  Rh17  1  0.0  0.15  0.29  1.0
  Rh  Rh18  1  0.0  0.29  0.15  1.0
  Rh  Rh19  1  0.29  0.0  0.15  1.0

data_AlRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.14
_cell_length_b   12.14
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlRh4
_chemical_formula_sum   'Al12 Rh48'
_cell_volume   949.5
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  0.19  0.38  0.09  1.0
  Al  Al1  3  0.0  0.0  0.01  1.0
  Rh  Rh2  18  0.0  0.15  0.15  1.0
  Rh  Rh3  9  0.04  0.08  0.96  1.0
  Rh  Rh4  9  0.07  0.54  0.23  1.0
  Rh  Rh5  9  0.1  0.19  0.9  1.0
  Rh  Rh6  3  0.0  0.0  0.6  1.0

Al Al Al Al Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Rh4Al crystallizes in the trigonal R3m space group. There are five inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to one Rh(2), one Rh(4), and two equivalent Al(1) atoms. The Rh(1)-Rh(2) bond length is 2.76 Å. The Rh(1)-Rh(4) bond length is 2.62 Å. Both Rh(1)-Al(1) bond lengths are 3.08 Å. In the second Rh site, Rh(2) is bonded in a 12-coordinate geometry to three equivalent Rh(1), three equivalent Rh(3), three equivalent Rh(4), and three equivalent Al(1) atoms. All Rh(2)-Rh(3) bond lengths are 2.82 Å. All Rh(2)-Rh(4) bond lengths are 3.05 Å. All Rh(2)-Al(1) bond lengths are 3.29 Å. In the third Rh site, Rh(3) is bonded in a single-bond geometry to one Rh(2), one Rh(4), two equivalent Rh(5), and one Al(2) atom. The Rh(3)-Rh(4) bond length is 1.21 Å. Both Rh(3)-Rh(5) bond lengths are 1.79 Å. The Rh(3)-Al(2) bond length is 0.96 Å. In the fourth Rh site, Rh(4) is bonded in a distorted bent 120 degrees geometry to one Rh(1), one Rh(2), one Rh(3), two equivalent Rh(5), and one Al(1) atom. Both Rh(4)-Rh(5) bond lengths are 2.07 Å. The Rh(4)-Al(1) bond length is 2.41 Å. In the fifth Rh site, Rh(5) is bonded in a 7-coordinate geometry to one Rh(3), one Rh(4), two equivalent Rh(5), one Al(2), and two equivalent Al(1) atoms. Both Rh(5)-Rh(5) bond lengths are 1.78 Å. The Rh(5)-Al(2) bond length is 2.05 Å. There is one shorter (2.62 Å) and one longer (2.72 Å) Rh(5)-Al(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one Rh(2), one Rh(4), two equivalent Rh(1), and four equivalent Rh(5) atoms. In the second Al site, Al(2) is bonded in a trigonal non-coplanar geometry to three equivalent Rh(3) and six equivalent Rh(5) atoms.