data_ScAl4Re
_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   ScAl4Re
_chemical_formula_sum   'Sc1 Al4 Re1'
_cell_volume   95.22
_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
  Sc  Sc5  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.53  0.53  0.72  1.0
  Al  Al1  1  0.53  0.72  0.53  1.0
  Al  Al2  1  0.72  0.53  0.53  1.0
  Al  Al3  1  0.72  0.72  0.72  1.0
  Re  Re4  1  0.44  0.44  0.44  1.0

data_ScAl4Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScAl4Re
_chemical_formula_sum   'Sc3 Al12 Re3'
_cell_volume   285.66
_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
  Sc  Sc0  3  0.0  0.0  0.0  1.0
  Al  Al1  9  0.06  0.13  0.41  1.0
  Al  Al2  3  0.0  0.0  0.28  1.0
  Re  Re3  3  0.0  0.0  0.56  1.0

Sc Al Al Al Al Re
Sc Al Al Al Al Re 0 4 - - o 0 4 - o - 0 4 o - - 0 3 - - o 0 3 - o - 0 2 - - o 0 2 o - - 0 1 - o - 0 1 o - - 0 5 - o o 0 5 o - o 0 5 o o - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 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 
ScReAl4 crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 13-coordinate geometry to three equivalent Re(1), four equivalent Al(2), and six equivalent Al(1) atoms. All Sc(1)-Re(1) bond lengths are 3.23 Å. There are three shorter (3.03 Å) and one longer (3.52 Å) Sc(1)-Al(2) bond length. All Sc(1)-Al(1) bond lengths are 2.88 Å. Re(1) is bonded in a 12-coordinate geometry to three equivalent Sc(1), three equivalent Al(2), and six equivalent Al(1) atoms. All Re(1)-Al(2) bond lengths are 3.03 Å. There are three shorter (2.04 Å) and three longer (3.27 Å) Re(1)-Al(1) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1), two equivalent Re(1), one Al(2), and two equivalent Al(1) atoms. The Al(1)-Al(2) bond length is 1.69 Å. Both Al(1)-Al(1) bond lengths are 0.98 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Sc(1), three equivalent Re(1), and three equivalent Al(1) atoms.