data_GaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePd2
_chemical_formula_sum   'Ga1 Ge1 Pd2'
_cell_volume   62.01
_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  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.14  0.14  0.14  1.0
  Pd  Pd2  1  0.71  0.71  0.71  1.0
  Pd  Pd3  1  0.57  0.57  0.57  1.0

data_GaGePd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaGePd2
_chemical_formula_sum   'Ga3 Ge3 Pd6'
_cell_volume   186.04
_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
  Ge  Ge1  3  0.0  0.0  0.86  1.0
  Pd  Pd2  3  0.0  0.0  0.29  1.0
  Pd  Pd3  3  0.0  0.0  0.43  1.0

Ga Ge Pd Pd
Ga Ge Pd Pd 0 1 o o o 2 3 o o o 
Pd2GaGe crystallizes in the trigonal R3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to one Pd(2) atom. The Pd(1)-Pd(2) bond length is 1.54 Å. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Pd(1), three equivalent Ga(1), and three equivalent Ge(1) atoms. All Pd(2)-Ga(1) bond lengths are 2.77 Å. All Pd(2)-Ge(1) bond lengths are 2.77 Å. Ga(1) is bonded in a single-bond geometry to three equivalent Pd(2) and one Ge(1) atom. The Ga(1)-Ge(1) bond length is 1.54 Å. Ge(1) is bonded in a single-bond geometry to three equivalent Pd(2) and one Ga(1) atom.