data_Ru12Pb17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru12Pb17
_chemical_formula_sum   'Ru12 Pb17'
_cell_volume   640.78
_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
  Ru  Ru17  1  0.5  0.39  0.5  1.0
  Ru  Ru18  1  0.93  0.82  0.93  1.0
  Ru  Ru19  1  0.07  0.04  0.93  1.0
  Ru  Ru20  1  0.93  0.04  0.07  1.0
  Ru  Ru21  1  0.07  0.93  0.04  1.0
  Ru  Ru22  1  0.93  0.07  0.04  1.0
  Ru  Ru23  1  0.93  0.93  0.82  1.0
  Ru  Ru24  1  0.5  0.5  0.39  1.0
  Ru  Ru25  1  0.04  0.93  0.07  1.0
  Ru  Ru26  1  0.04  0.07  0.93  1.0
  Ru  Ru27  1  0.39  0.5  0.5  1.0
  Ru  Ru28  1  0.82  0.93  0.93  1.0
  Pb  Pb0  1  0.63  0.88  0.63  1.0
  Pb  Pb1  1  0.81  0.45  0.81  1.0
  Pb  Pb2  1  0.63  0.98  0.37  1.0
  Pb  Pb3  1  0.37  0.98  0.63  1.0
  Pb  Pb4  1  0.63  0.37  0.98  1.0
  Pb  Pb5  1  0.37  0.63  0.98  1.0
  Pb  Pb6  1  0.81  0.81  0.45  1.0
  Pb  Pb7  1  0.63  0.63  0.88  1.0
  Pb  Pb8  1  0.98  0.37  0.63  1.0
  Pb  Pb9  1  0.98  0.63  0.37  1.0
  Pb  Pb10  1  0.88  0.63  0.63  1.0
  Pb  Pb11  1  0.45  0.81  0.81  1.0
  Pb  Pb12  1  0.81  0.19  0.81  1.0
  Pb  Pb13  1  0.62  0.62  0.62  1.0
  Pb  Pb14  1  0.81  0.81  0.19  1.0
  Pb  Pb15  1  0.19  0.81  0.81  1.0
  Pb  Pb16  1  0.0  0.0  0.0  1.0

data_Ru12Pb17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.36
_cell_length_b   15.36
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ru12Pb17
_chemical_formula_sum   'Ru36 Pb51'
_cell_volume   1922.33
_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
  Ru  Ru0  18  0.03  0.09  0.01  1.0
  Ru  Ru1  9  0.04  0.07  0.89  1.0
  Ru  Ru2  9  0.04  0.08  0.47  1.0
  Pb  Pb3  18  0.05  0.35  0.33  1.0
  Pb  Pb4  9  0.1  0.55  0.35  1.0
  Pb  Pb5  9  0.17  0.09  0.71  1.0
  Pb  Pb6  9  0.21  0.42  0.6  1.0
  Pb  Pb7  3  0.0  0.0  0.0  1.0
  Pb  Pb8  3  0.0  0.0  0.62  1.0

Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 25 o o o 0 7 o o o 0 10 o o o 0 13 o o o 0 19 o o o 0 22 o o o 1 28 + + + 1 8 + o + 1 4 + o + 1 13 o o o 1 19 o o o 1 22 o o o 1 26 o o + 1 27 + o o 2 9 o o o 2 6 - - o 2 27 o - o 2 28 o o + 3 5 o o o 3 11 o - - 3 26 o - o 3 28 + o o 4 8 o o o 4 27 o o - 4 28 o + o 5 11 o - - 5 24 o o - 5 28 + o o 6 28 + + + 6 9 + + o 6 12 o o o 6 18 o o o 6 22 o o o 6 24 o + o 6 27 + o o 7 10 o o o 7 25 o o o 7 12 o o o 7 18 o o o 7 22 o o o 8 26 - o o 8 28 o + o 9 24 - o o 9 28 o o + 10 25 o o o 10 12 o o o 10 19 o o o 10 23 o o o 11 28 + + + 11 12 o o o 11 19 o o o 11 23 o o o 11 24 o + o 11 26 o o + 12 23 o o o 12 14 o o o 12 15 o o o 12 18 o o o 12 25 o o o 12 24 o + o 13 16 o o o 13 25 o o o 13 22 o o o 13 19 o o o 13 20 o o o 13 24 o o o 14 17 o o - 14 26 o o o 14 18 o o o 14 24 o + o 14 20 o + o 15 21 - o o 15 27 o o o 15 23 o o o 15 24 o + o 15 16 o + o 16 26 o o + 16 19 o o o 16 24 o o o 16 21 o o + 17 20 - o o 17 27 o o o 17 23 o o o 17 26 o o + 17 19 o o o 18 25 o o o 18 21 o o o 18 22 o o o 18 26 o o o 19 25 o o o 19 23 o o o 19 26 o o + 20 24 o o o 20 27 + o o 20 22 o o o 21 26 o o o 21 22 o o o 21 27 + o o 22 25 o o o 22 27 + o o 23 27 o o o 23 25 o o o 
Ru12Pb17 crystallizes in the trigonal R3m space group. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(5), and two equivalent Pb(1) atoms. The Ru(1)-Pb(2) bond length is 2.98 Å. The Ru(1)-Pb(5) bond length is 1.75 Å. Both Ru(1)-Pb(1) bond lengths are 3.03 Å. In the second Ru site, Ru(2) is bonded in a 1-coordinate geometry to one Pb(2), one Pb(6), and two equivalent Pb(1) atoms. The Ru(2)-Pb(2) bond length is 2.93 Å. The Ru(2)-Pb(6) bond length is 1.39 Å. Both Ru(2)-Pb(1) bond lengths are 2.61 Å. In the third Ru site, Ru(3) is bonded in a 2-coordinate geometry to one Ru(3), one Pb(4), and one Pb(6) atom. The Ru(3)-Ru(3) bond length is 0.49 Å. The Ru(3)-Pb(4) bond length is 2.77 Å. The Ru(3)-Pb(6) bond length is 1.19 Å. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Pb(4), one Pb(5), two equivalent Pb(2), and two equivalent Pb(3) atoms. The Pb(1)-Pb(4) bond length is 2.38 Å. The Pb(1)-Pb(5) bond length is 2.44 Å. Both Pb(1)-Pb(2) bond lengths are 2.82 Å. Both Pb(1)-Pb(3) bond lengths are 2.80 Å. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one Ru(1), one Ru(2), one Pb(4), two equivalent Pb(1), and two equivalent Pb(3) atoms. The Pb(2)-Pb(4) bond length is 2.52 Å. Both Pb(2)-Pb(3) bond lengths are 2.81 Å. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(2), two equivalent Pb(3), and two equivalent Pb(4) atoms. Both Pb(3)-Pb(3) bond lengths are 3.34 Å. There is one shorter (3.28 Å) and one longer (3.38 Å) Pb(3)-Pb(4) bond length. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to two equivalent Ru(3), one Pb(1), one Pb(2), and four equivalent Pb(3) atoms. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to three equivalent Ru(1) and three equivalent Pb(1) atoms. In the sixth Pb site, Pb(6) is bonded in a distorted q6 geometry to three equivalent Ru(2) and six equivalent Ru(3) atoms.