data_Re17Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   8.22
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re17Ru12
_chemical_formula_sum   'Re17 Ru12'
_cell_volume   427.29
_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
  Re  Re0  1  0.38  0.14  0.38  1.0
  Re  Re1  1  0.37  0.39  0.37  1.0
  Re  Re2  1  0.38  0.35  0.62  1.0
  Re  Re3  1  0.62  0.35  0.38  1.0
  Re  Re4  1  0.38  0.62  0.35  1.0
  Re  Re5  1  0.62  0.38  0.35  1.0
  Re  Re6  1  0.37  0.37  0.39  1.0
  Re  Re7  1  0.38  0.38  0.14  1.0
  Re  Re8  1  0.35  0.62  0.38  1.0
  Re  Re9  1  0.35  0.38  0.62  1.0
  Re  Re10  1  0.14  0.38  0.38  1.0
  Re  Re11  1  0.39  0.37  0.37  1.0
  Re  Re12  1  0.68  0.32  0.68  1.0
  Re  Re13  1  0.07  0.07  0.07  1.0
  Re  Re14  1  0.68  0.68  0.32  1.0
  Re  Re15  1  0.32  0.68  0.68  1.0
  Re  Re16  1  0.0  0.0  0.0  1.0
  Ru  Ru17  1  0.89  0.93  0.89  1.0
  Ru  Ru18  1  0.85  0.68  0.85  1.0
  Ru  Ru19  1  0.15  0.81  0.85  1.0
  Ru  Ru20  1  0.85  0.81  0.15  1.0
  Ru  Ru21  1  0.15  0.85  0.81  1.0
  Ru  Ru22  1  0.85  0.15  0.81  1.0
  Ru  Ru23  1  0.85  0.85  0.68  1.0
  Ru  Ru24  1  0.89  0.89  0.93  1.0
  Ru  Ru25  1  0.81  0.85  0.15  1.0
  Ru  Ru26  1  0.81  0.15  0.85  1.0
  Ru  Ru27  1  0.93  0.89  0.89  1.0
  Ru  Ru28  1  0.68  0.85  0.85  1.0

data_Re17Ru12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.42
_cell_length_b   13.42
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re17Ru12
_chemical_formula_sum   'Re51 Ru36'
_cell_volume   1281.87
_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+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
  Re  Re0  18  0.17  0.07  0.45  1.0
  Re  Re1  9  0.02  0.01  0.38  1.0
  Re  Re2  9  0.08  0.16  0.3  1.0
  Re  Re3  9  0.09  0.55  0.23  1.0
  Re  Re4  3  0.0  0.0  0.0  1.0
  Re  Re5  3  0.0  0.0  0.07  1.0
  Ru  Ru6  18  0.21  0.08  0.94  1.0
  Ru  Ru7  9  0.03  0.01  0.9  1.0
  Ru  Ru8  9  0.06  0.12  0.8  1.0

Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru
Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru 0 11 o o o 0 6 o o o 0 1 o o o 0 2 o o o 0 3 o o o 0 12 o o o 1 11 o o o 1 6 o o o 1 7 o o o 1 10 o o o 2 9 o o o 2 12 o o o 2 15 o o o 3 5 o o o 3 12 o o o 3 14 o o o 4 8 o o o 4 7 o o o 4 14 o o o 4 15 o o o 5 7 o o o 5 12 o o o 5 14 o o o 6 11 o o o 6 7 o o o 6 10 o o o 7 11 o o o 7 14 o o o 8 10 o o o 8 14 o o o 8 15 o o o 9 10 o o o 9 12 o o o 9 15 o o o 10 11 o o o 10 15 o o o 12 18 o o o 12 26 o o o 12 22 o o o 13 16 o o o 14 25 o o o 14 20 o o o 14 23 o o o 15 21 o o o 15 19 o o o 15 28 o o o 17 27 o o o 17 24 o o o 17 23 o o o 17 28 o o o 18 27 o o o 18 24 o o o 19 21 o o o 20 25 o o o 22 26 o o o 23 27 o o o 24 27 o o o 24 28 o o o 
Re17Ru12 crystallizes in the trigonal R3m space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to one Re(4), one Re(5), two equivalent Re(2), two equivalent Re(3), and two equivalent Ru(3) atoms. The Re(1)-Re(4) bond length is 2.35 Å. The Re(1)-Re(5) bond length is 2.66 Å. Both Re(1)-Re(2) bond lengths are 1.88 Å. Both Re(1)-Re(3) bond lengths are 2.20 Å. Both Re(1)-Ru(3) bond lengths are 3.56 Å. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to two equivalent Re(1) and two equivalent Re(2) atoms. Both Re(2)-Re(2) bond lengths are 0.33 Å. In the third Re site, Re(3) is bonded in a single-bond geometry to one Re(1), one Re(3), and one Re(4) atom. The Re(3)-Re(3) bond length is 0.33 Å. The Re(3)-Re(4) bond length is 2.49 Å. In the fourth Re site, Re(4) is bonded in a 6-coordinate geometry to one Re(1), two equivalent Re(3), one Ru(2), and two equivalent Ru(3) atoms. The Re(4)-Ru(2) bond length is 2.39 Å. Both Re(4)-Ru(3) bond lengths are 2.60 Å. In the fifth Re site, Re(5) is bonded in a single-bond geometry to one Re(6) and three equivalent Re(1) atoms. The Re(5)-Re(6) bond length is 0.54 Å. In the sixth Re site, Re(6) is bonded in a 4-coordinate geometry to one Re(5) and three equivalent Ru(1) atoms. All Re(6)-Ru(1) bond lengths are 0.85 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Re(6), two equivalent Ru(1), and two equivalent Ru(2) atoms. Both Ru(1)-Ru(1) bond lengths are 0.56 Å. Both Ru(1)-Ru(2) bond lengths are 1.54 Å. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Re(4) and two equivalent Ru(1) atoms. In the third Ru site, Ru(3) is bonded in a single-bond geometry to one Re(1), one Re(4), and one Ru(3) atom. The Ru(3)-Ru(3) bond length is 0.56 Å.