data_Al4NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4NiRh
_chemical_formula_sum   'Al4 Ni1 Rh1'
_cell_volume   86.64
_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  0.63  0.63  0.39  1.0
  Al  Al1  1  0.63  0.39  0.63  1.0
  Al  Al2  1  0.39  0.63  0.63  1.0
  Al  Al3  1  0.39  0.39  0.39  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.76  0.76  0.76  1.0

data_Al4NiRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al4NiRh
_chemical_formula_sum   'Al12 Ni3 Rh3'
_cell_volume   259.91
_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  0.16  0.08  0.45  1.0
  Al  Al1  3  0.0  0.0  0.61  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.24  1.0

Al Al Al Al Ni Rh
RhNiAl4 crystallizes in the trigonal R3m space group. Rh(1) is bonded in a 13-coordinate geometry to four equivalent Ni(1), three equivalent Al(2), and six equivalent Al(1) atoms. There is one shorter (2.97 Å) and three longer (3.07 Å) Rh(1)-Ni(1) bond lengths. All Rh(1)-Al(2) bond lengths are 2.90 Å. There are three shorter (2.57 Å) and three longer (2.68 Å) Rh(1)-Al(1) bond lengths. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Rh(1), three equivalent Al(1), and three equivalent Al(2) atoms. All Ni(1)-Al(1) bond lengths are 2.57 Å. All Ni(1)-Al(2) bond lengths are 2.95 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Rh(1), one Ni(1), one Al(2), and two equivalent Al(1) atoms. The Al(1)-Al(2) bond length is 2.11 Å. Both Al(1)-Al(1) bond lengths are 1.22 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to three equivalent Rh(1), three equivalent Ni(1), and three equivalent Al(1) atoms.