data_Y24Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.2
_cell_length_b   10.2
_cell_length_c   10.2
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y24Ru5
_chemical_formula_sum   'Y24 Ru5'
_cell_volume   818.07
_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
  Y  Y5  1  0.99  0.01  0.09  1.0
  Y  Y6  1  0.01  0.99  0.09  1.0
  Y  Y7  1  0.99  0.99  0.7  1.0
  Y  Y8  1  0.9  0.9  0.8  1.0
  Y  Y9  1  0.99  0.7  0.99  1.0
  Y  Y10  1  0.9  0.8  0.9  1.0
  Y  Y11  1  0.01  0.09  0.99  1.0
  Y  Y12  1  0.99  0.09  0.01  1.0
  Y  Y13  1  0.09  0.01  0.99  1.0
  Y  Y14  1  0.09  0.99  0.01  1.0
  Y  Y15  1  0.8  0.9  0.9  1.0
  Y  Y16  1  0.7  0.99  0.99  1.0
  Y  Y17  1  0.33  0.67  0.85  1.0
  Y  Y18  1  0.67  0.33  0.85  1.0
  Y  Y19  1  0.22  0.22  0.04  1.0
  Y  Y20  1  0.67  0.67  0.93  1.0
  Y  Y21  1  0.22  0.04  0.22  1.0
  Y  Y22  1  0.67  0.93  0.67  1.0
  Y  Y23  1  0.67  0.85  0.33  1.0
  Y  Y24  1  0.33  0.85  0.67  1.0
  Y  Y25  1  0.85  0.67  0.33  1.0
  Y  Y26  1  0.85  0.33  0.67  1.0
  Y  Y27  1  0.93  0.67  0.67  1.0
  Y  Y28  1  0.04  0.22  0.22  1.0
  Ru  Ru0  1  0.03  0.97  0.03  1.0
  Ru  Ru1  1  0.97  0.03  0.03  1.0
  Ru  Ru2  1  0.03  0.03  0.97  1.0
  Ru  Ru3  1  0.86  0.86  0.86  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0

data_Y24Ru5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.66
_cell_length_b   16.66
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y24Ru5
_chemical_formula_sum   'Y72 Ru15'
_cell_volume   2454.21
_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
  Y  Y0  18  0.05  0.43  0.28  1.0
  Y  Y1  18  0.06  0.02  0.03  1.0
  Y  Y2  9  0.03  0.07  0.87  1.0
  Y  Y3  9  0.06  0.12  0.16  1.0
  Y  Y4  9  0.1  0.2  0.89  1.0
  Y  Y5  9  0.18  0.09  0.75  1.0
  Ru  Ru6  9  0.02  0.04  0.01  1.0
  Ru  Ru7  3  0.0  0.0  0.0  1.0
  Ru  Ru8  3  0.0  0.0  0.86  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Ru Ru Ru Ru Ru
Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Ru Ru Ru Ru Ru 0 1 + - o 0 16 + o o 0 23 + o o 0 25 o o o 1 16 o + o 1 23 o + o 1 24 o o o 2 3 o o o 2 17 o o o 2 18 o o o 2 20 o o o 2 22 o o o 3 27 o o o 3 17 o o o 3 22 o o o 4 5 o o o 4 13 o o o 4 15 o o o 4 21 o o o 4 22 o o o 5 27 o o o 5 15 o o o 5 22 o o o 6 7 - o + 6 14 o o + 6 23 o o + 6 26 o o o 7 14 + o o 7 23 + o o 7 25 o o o 8 9 o - + 8 14 o o + 8 16 o o + 8 26 o o o 9 14 o + o 9 16 o + o 9 24 o o o 10 27 o o o 10 11 o o o 10 15 o o o 10 17 o o o 11 12 o o o 11 15 o o o 11 17 o o o 11 19 o o o 12 19 o o o 12 15 o o o 13 15 o o o 13 21 o o o 14 26 o o - 15 27 o o o 16 24 o - o 17 27 o o o 17 18 o o o 17 19 o o o 18 20 o o o 20 22 o o o 21 22 o o o 22 27 o o o 23 25 - o o 24 28 o + o 25 28 + o o 26 28 o o + 
Y24Ru5 crystallizes in the trigonal R3m space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Y(5) and one Ru(1) atom. The Y(1)-Y(5) bond length is 1.94 Å. The Y(1)-Ru(1) bond length is 0.67 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Y(3), two equivalent Y(6), and four equivalent Y(4) atoms. The Y(2)-Y(3) bond length is 1.89 Å. Both Y(2)-Y(6) bond lengths are 3.03 Å. There are two shorter (3.45 Å) and two longer (4.24 Å) Y(2)-Y(4) bond lengths. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(6), one Ru(1), and one Ru(2) atom. Both Y(3)-Y(6) bond lengths are 2.50 Å. The Y(3)-Ru(1) bond length is 1.48 Å. The Y(3)-Ru(2) bond length is 0.95 Å. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to two equivalent Y(2), two equivalent Y(6), and three equivalent Y(4) atoms. There is one shorter (3.23 Å) and one longer (3.92 Å) Y(4)-Y(6) bond length. There is one shorter (3.12 Å) and two longer (4.18 Å) Y(4)-Y(4) bond lengths. In the fifth Y site, Y(5) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ru(1) atom. The Y(5)-Ru(1) bond length is 1.98 Å. In the sixth Y site, Y(6) is bonded in a 8-coordinate geometry to two equivalent Y(2), two equivalent Y(3), and four equivalent Y(4) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Y(3), one Y(5), two equivalent Y(1), and one Ru(3) atom. The Ru(1)-Ru(3) bond length is 0.58 Å. In the second Ru site, Ru(2) is bonded in a trigonal planar geometry to three equivalent Y(3) atoms. In the third Ru site, Ru(3) is bonded in a trigonal planar geometry to three equivalent Ru(1) atoms.