data_Ag3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Pd
_chemical_formula_sum   'Ag6 Pd2'
_cell_volume   141.06
_cell_formula_units_Z   2
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  0.6  0.9  0.0  1.0
  Ag  Ag1  1  0.6  0.3  0.0  1.0
  Ag  Ag2  1  0.9  0.0  0.6  1.0
  Ag  Ag3  1  0.0  0.6  0.9  1.0
  Ag  Ag4  1  0.0  0.6  0.3  1.0
  Ag  Ag5  1  0.3  0.0  0.6  1.0
  Pd  Pd6  1  0.6  0.6  0.6  1.0
  Pd  Pd7  1  0.0  0.0  0.0  1.0

data_Ag3Pd
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ag3Pd
_chemical_formula_sum   'Ag18 Pd6'
_cell_volume   423.18
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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  9  -0.0  0.7  0.3  1.0
  Ag  Ag1  9  0.07  0.23  0.84  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.6  1.0

Ag Ag Ag Ag Ag Ag Pd Pd
Ag Ag Ag Ag Ag Ag Pd Pd 0 7 + + o 0 1 o + o 0 6 o o - 1 7 + o o 1 6 o o - 2 7 + o + 2 5 + o o 2 6 o - o 3 7 o + + 3 4 o o + 3 6 - o o 4 6 - o o 4 7 o + o 5 7 o o + 5 6 o - o 
PdAg3 crystallizes in the trigonal R3 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent Ag(2) atoms. All Pd(1)-Ag(1) bond lengths are 2.60 Å. All Pd(1)-Ag(2) bond lengths are 2.60 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to three equivalent Ag(1) and three equivalent Ag(2) atoms. All Pd(2)-Ag(1) bond lengths are 2.13 Å. All Pd(2)-Ag(2) bond lengths are 2.60 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(2), and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 2.07 Å. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(2), and one Ag(1) atom.