data_Zn2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.07
_cell_angle_alpha   100.55
_cell_angle_beta   100.55
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdAu
_chemical_formula_sum   'Zn2 Pd1 Au1'
_cell_volume   63.07
_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
  Zn  Zn2  1  0.42  0.0  0.79  1.0
  Zn  Zn3  1  0.16  0.0  0.19  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.79  0.0  0.49  1.0

data_Zn2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.53
_cell_length_c   5.07
_cell_angle_alpha   100.55
_cell_angle_beta   90.0
_cell_angle_gamma   109.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdAu
_chemical_formula_sum   'Zn2 Pd1 Au1'
_cell_volume   63.07
_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
  Zn  Zn0  1  0.0  0.58  0.21  1.0
  Zn  Zn1  1  0.0  0.84  0.81  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.21  0.51  1.0

Zn Zn Pd Au
Zn Zn Pd Au 0 3 - o o 0 3 o o o 0 2 o o + 0 2 + o + 0 1 o o + 0 0 + - o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 - o o 2 3 - o - 3 3 + - o 
PdAuZn2 crystallizes in the triclinic P1 space group. Pd(1) is bonded in a single-bond geometry to two equivalent Au(1), one Zn(2), and two equivalent Zn(1) atoms. There is one shorter (2.60 Å) and one longer (2.81 Å) Pd(1)-Au(1) bond length. The Pd(1)-Zn(2) bond length is 1.09 Å. There is one shorter (2.34 Å) and one longer (2.66 Å) Pd(1)-Zn(1) bond length. Au(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1), two equivalent Au(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. Both Au(1)-Au(1) bond lengths are 2.96 Å. There is one shorter (2.48 Å) and one longer (2.97 Å) Au(1)-Zn(1) bond length. There is one shorter (2.48 Å) and one longer (2.97 Å) Au(1)-Zn(2) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to two equivalent Pd(1) and two equivalent Au(1) atoms. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Pd(1) and two equivalent Au(1) atoms.