data_GaAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Pd
_chemical_formula_sum   'Ga1 Ag2 Pd1'
_cell_volume   66.86
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.61  0.61  0.61  1.0
  Ag  Ag1  1  0.83  0.83  0.83  1.0
  Pd  Pd3  1  0.22  0.22  0.22  1.0

data_GaAg2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaAg2Pd
_chemical_formula_sum   'Ga3 Ag6 Pd3'
_cell_volume   200.59
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.17  1.0
  Ag  Ag2  3  0.0  0.0  0.39  1.0
  Pd  Pd3  3  0.0  0.0  0.78  1.0

Ga Ag Ag Pd
Ga Ag Ag Pd 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 + + o 2 3 + o + 2 3 o + + 
PdAg2Ga crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Ag(1), three equivalent Ag(2), and four equivalent Ga(1) atoms. All Pd(1)-Ag(1) bond lengths are 2.70 Å. All Pd(1)-Ag(2) bond lengths are 2.70 Å. There is one shorter (2.47 Å) and three longer (2.91 Å) Pd(1)-Ga(1) bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to three equivalent Pd(1), one Ag(2), and three equivalent Ga(1) atoms. The Ag(1)-Ag(2) bond length is 2.47 Å. All Ag(1)-Ga(1) bond lengths are 2.70 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to three equivalent Pd(1), one Ag(1), and one Ga(1) atom. The Ag(2)-Ga(1) bond length is 1.87 Å. Ga(1) is bonded in a 2-coordinate geometry to four equivalent Pd(1), one Ag(2), and three equivalent Ag(1) atoms.