data_Y24Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33
_cell_length_b   10.33
_cell_length_c   10.33
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y24Pd5
_chemical_formula_sum   'Y24 Pd5'
_cell_volume   847.91
_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  0.04  0.96  0.22  1.0
  Y  Y6  1  0.96  0.04  0.22  1.0
  Y  Y7  1  0.04  0.04  0.7  1.0
  Y  Y8  1  0.92  0.92  0.74  1.0
  Y  Y9  1  0.04  0.7  0.04  1.0
  Y  Y10  1  0.92  0.74  0.92  1.0
  Y  Y11  1  0.96  0.22  0.04  1.0
  Y  Y12  1  0.04  0.22  0.96  1.0
  Y  Y13  1  0.22  0.96  0.04  1.0
  Y  Y14  1  0.22  0.04  0.96  1.0
  Y  Y15  1  0.74  0.92  0.92  1.0
  Y  Y16  1  0.7  0.04  0.04  1.0
  Y  Y17  1  0.33  0.67  0.88  1.0
  Y  Y18  1  0.67  0.33  0.88  1.0
  Y  Y19  1  0.3  0.3  0.08  1.0
  Y  Y20  1  0.67  0.67  0.04  1.0
  Y  Y21  1  0.3  0.08  0.3  1.0
  Y  Y22  1  0.67  0.04  0.67  1.0
  Y  Y23  1  0.67  0.88  0.33  1.0
  Y  Y24  1  0.33  0.88  0.67  1.0
  Y  Y25  1  0.88  0.67  0.33  1.0
  Y  Y26  1  0.88  0.33  0.67  1.0
  Y  Y27  1  0.04  0.67  0.67  1.0
  Y  Y28  1  0.08  0.3  0.3  1.0
  Pd  Pd0  1  0.13  0.87  0.13  1.0
  Pd  Pd1  1  0.87  0.13  0.13  1.0
  Pd  Pd2  1  0.13  0.13  0.87  1.0
  Pd  Pd3  1  0.83  0.83  0.83  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_Y24Pd5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.86
_cell_length_b   16.86
_cell_length_c   10.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y24Pd5
_chemical_formula_sum   'Y72 Pd15'
_cell_volume   2543.72
_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  0.04  0.41  0.29  1.0
  Y  Y1  18  0.15  0.03  0.07  1.0
  Y  Y2  9  0.06  0.12  0.86  1.0
  Y  Y3  9  0.07  0.14  0.22  1.0
  Y  Y4  9  0.11  0.55  0.59  1.0
  Y  Y5  9  0.21  0.42  0.46  1.0
  Pd  Pd6  9  0.09  0.17  0.04  1.0
  Pd  Pd7  3  0.0  0.0  0.0  1.0
  Pd  Pd8  3  0.0  0.0  0.83  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 Pd Pd Pd Pd Pd
Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Pd Pd Pd Pd Pd 0 1 - + o 0 15 - o o 0 16 o + o 0 20 - o o 0 24 o o o 0 28 o + o 1 15 o - o 1 18 o - o 1 23 + o o 1 25 o o o 1 28 + o o 2 3 - - o 2 26 o o o 2 17 - o o 2 18 - - o 2 19 o - o 2 20 - - o 2 21 - o o 2 22 o - o 3 27 o o o 3 26 + + o 3 17 o + o 3 18 o o o 3 20 o o o 3 22 + o o 3 28 + + + 4 5 - o - 4 24 o o o 4 12 o o - 4 13 - o - 4 15 - o o 4 20 - o o 4 21 - o - 4 22 o o - 5 27 o o o 5 24 + o + 5 13 o o o 5 15 o o + 5 21 o o o 5 22 + o o 5 28 + + + 6 7 + o - 6 13 o o - 6 17 o o - 6 23 + o o 6 25 o o o 6 28 + o o 7 14 o o + 7 17 - o o 7 21 - o o 7 26 o o o 7 28 o o + 8 9 o + - 8 12 o o - 8 16 o + o 8 22 o o - 8 24 o o o 8 28 o + o 9 14 o o + 9 19 o - o 9 22 o - o 9 26 o o o 9 28 o o + 10 11 o + + 10 27 o o o 10 25 o + + 10 12 o o o 10 15 o o + 10 17 o + o 10 19 o o o 10 28 + + + 11 25 o o o 11 12 o - - 11 13 o o - 11 15 o - o 11 17 o o - 11 18 o - o 11 19 o - - 12 21 - o o 12 22 o o o 12 19 o o o 12 18 o o + 12 15 o o + 13 19 o - o 13 15 o o + 13 17 o o o 13 21 o o o 13 20 o o + 14 26 o o - 15 18 o o o 15 27 o o - 15 20 o o o 16 24 o - o 17 19 o - o 17 18 o - o 17 27 o - o 17 21 o o o 18 21 o + o 18 20 o o o 19 20 - o o 19 22 o o o 20 22 + o o 21 22 + o o 22 27 - o o 23 25 - o o 24 28 o + o 25 28 + o o 26 28 o o + 27 28 + + + 
Y24Pd5 crystallizes in the trigonal R3m space group. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Y(4), one Y(6), one Pd(1), and one Pd(3) atom. The Y(1)-Y(4) bond length is 3.63 Å. The Y(1)-Y(6) bond length is 3.34 Å. The Y(1)-Pd(1) bond length is 1.78 Å. The Y(1)-Pd(3) bond length is 2.41 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(3), four equivalent Y(4), and one Pd(1) atom. The Y(2)-Y(3) bond length is 1.69 Å. There are two shorter (3.73 Å) and two longer (3.93 Å) Y(2)-Y(4) bond lengths. The Y(2)-Pd(1) bond length is 1.42 Å. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(4), two equivalent Y(6), one Pd(1), one Pd(2), and one Pd(3) atom. Both Y(3)-Y(4) bond lengths are 3.94 Å. Both Y(3)-Y(6) bond lengths are 3.24 Å. The Y(3)-Pd(1) bond length is 2.03 Å. The Y(3)-Pd(2) bond length is 1.80 Å. The Y(3)-Pd(3) bond length is 2.29 Å. In the fourth Y site, Y(4) is bonded in a 9-coordinate geometry to one Y(1), one Y(3), two equivalent Y(2), two equivalent Y(6), and three equivalent Y(4) atoms. There is one shorter (3.09 Å) and one longer (3.30 Å) Y(4)-Y(6) bond length. There is one shorter (3.64 Å) and two longer (3.97 Å) Y(4)-Y(4) bond lengths. In the fifth Y site, Y(5) is bonded in a single-bond geometry to one Pd(1) atom. The Y(5)-Pd(1) bond length is 1.91 Å. In the sixth Y site, Y(6) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(3), and four equivalent Y(4) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Y(2), one Y(3), one Y(5), and two equivalent Y(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted trigonal pyramidal geometry to three equivalent Y(3) and one Pd(3) atom. The Pd(2)-Pd(3) bond length is 1.73 Å. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to three equivalent Y(3), six equivalent Y(1), and one Pd(2) atom.