data_Ag17Pd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag17Pd12
_chemical_formula_sum   'Ag17 Pd12'
_cell_volume   497.49
_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
  Ag  Ag0  1  0.38  0.47  0.38  1.0
  Ag  Ag1  1  0.61  0.48  0.61  1.0
  Ag  Ag2  1  0.38  0.51  0.62  1.0
  Ag  Ag3  1  0.62  0.51  0.38  1.0
  Ag  Ag4  1  0.38  0.62  0.51  1.0
  Ag  Ag5  1  0.62  0.38  0.51  1.0
  Ag  Ag6  1  0.61  0.61  0.48  1.0
  Ag  Ag7  1  0.38  0.38  0.47  1.0
  Ag  Ag8  1  0.51  0.62  0.38  1.0
  Ag  Ag9  1  0.51  0.38  0.62  1.0
  Ag  Ag10  1  0.47  0.38  0.38  1.0
  Ag  Ag11  1  0.48  0.61  0.61  1.0
  Ag  Ag12  1  0.73  0.27  0.73  1.0
  Ag  Ag13  1  0.26  0.26  0.26  1.0
  Ag  Ag14  1  0.73  0.73  0.27  1.0
  Ag  Ag15  1  0.27  0.73  0.73  1.0
  Ag  Ag16  1  0.0  0.0  0.0  1.0
  Pd  Pd17  1  0.06  0.83  0.06  1.0
  Pd  Pd18  1  0.93  0.82  0.93  1.0
  Pd  Pd19  1  0.07  0.16  0.93  1.0
  Pd  Pd20  1  0.93  0.16  0.07  1.0
  Pd  Pd21  1  0.07  0.93  0.16  1.0
  Pd  Pd22  1  0.93  0.07  0.16  1.0
  Pd  Pd23  1  0.93  0.93  0.82  1.0
  Pd  Pd24  1  0.06  0.06  0.83  1.0
  Pd  Pd25  1  0.16  0.93  0.07  1.0
  Pd  Pd26  1  0.16  0.07  0.93  1.0
  Pd  Pd27  1  0.83  0.06  0.06  1.0
  Pd  Pd28  1  0.82  0.93  0.93  1.0

data_Ag17Pd12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.12
_cell_length_b   14.12
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ag17Pd12
_chemical_formula_sum   'Ag51 Pd36'
_cell_volume   1492.48
_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
  Ag  Ag0  18  0.01  0.12  0.5  1.0
  Ag  Ag1  9  0.03  0.51  0.24  1.0
  Ag  Ag2  9  0.04  0.08  0.57  1.0
  Ag  Ag3  9  0.06  0.03  0.41  1.0
  Ag  Ag4  3  0.0  0.0  0.0  1.0
  Ag  Ag5  3  0.0  0.0  0.26  1.0
  Pd  Pd6  18  0.02  0.13  0.05  1.0
  Pd  Pd7  9  0.04  0.07  0.89  1.0
  Pd  Pd8  9  0.08  0.16  0.98  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Pd12Ag17 crystallizes in the trigonal R3m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted T-shaped geometry to one Pd(2) and two equivalent Pd(3) atoms. The Pd(1)-Pd(2) bond length is 1.31 Å. Both Pd(1)-Pd(3) bond lengths are 0.96 Å. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Pd(1) and one Ag(6) atom. The Pd(2)-Ag(6) bond length is 1.29 Å. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to one Pd(1), one Ag(4), one Ag(5), and one Ag(6) atom. The Pd(3)-Ag(4) bond length is 3.49 Å. The Pd(3)-Ag(5) bond length is 2.46 Å. The Pd(3)-Ag(6) bond length is 1.74 Å. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one Ag(5), two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms. The Ag(1)-Ag(5) bond length is 1.50 Å. Both Ag(1)-Ag(1) bond lengths are 1.26 Å. Both Ag(1)-Ag(2) bond lengths are 1.59 Å. Both Ag(1)-Ag(3) bond lengths are 1.33 Å. In the second Ag site, Ag(2) is bonded in a distorted L-shaped geometry to two equivalent Ag(1) and two equivalent Ag(3) atoms. Both Ag(2)-Ag(3) bond lengths are 1.02 Å. In the third Ag site, Ag(3) is bonded in a 1-coordinate geometry to one Ag(1), one Ag(2), and one Ag(4) atom. The Ag(3)-Ag(4) bond length is 2.48 Å. In the fourth Ag site, Ag(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pd(3) and two equivalent Ag(3) atoms. In the fifth Ag site, Ag(5) is bonded in a 10-coordinate geometry to six equivalent Pd(3), one Ag(6), and three equivalent Ag(1) atoms. The Ag(5)-Ag(6) bond length is 2.28 Å. In the sixth Ag site, Ag(6) is bonded in a 3-coordinate geometry to three equivalent Pd(2), six equivalent Pd(3), and one Ag(5) atom.