data_Zn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pd
_chemical_formula_sum   'Zn6 Pd3'
_cell_volume   133.34
_cell_formula_units_Z   3
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  Zn3  1  0.88  0.93  0.4  1.0
  Zn  Zn4  1  0.66  0.06  0.0  1.0
  Zn  Zn5  1  0.23  0.0  0.4  1.0
  Zn  Zn6  1  0.59  0.49  0.4  1.0
  Zn  Zn7  1  0.69  0.0  0.0  1.0
  Zn  Zn8  1  0.36  0.36  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.28  0.4  1.0
  Pd  Pd2  1  0.71  0.14  0.4  1.0

data_Zn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Pd
_chemical_formula_sum   'Zn6 Pd3'
_cell_volume   133.34
_cell_formula_units_Z   3
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  0.69  0.0  1.0
  Zn  Zn1  1  0.0  0.66  0.06  1.0
  Zn  Zn2  1  0.0  0.36  0.36  1.0
  Zn  Zn3  1  0.4  0.23  0.0  1.0
  Zn  Zn4  1  0.4  0.59  0.49  1.0
  Zn  Zn5  1  0.4  0.88  0.93  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.4  0.0  0.28  1.0
  Pd  Pd8  1  0.4  0.71  0.14  1.0

Zn Zn Zn Zn Zn Zn Pd Pd Pd
Zn Zn Zn Zn Zn Zn Pd Pd Pd 0 6 + + o 0 2 + + o 0 7 + + o 1 4 o o o 1 7 + o o 1 8 o o o 2 6 o o o 2 6 o o + 2 5 o o o 3 5 o o o 3 5 o o + 4 7 + o o 4 8 o o o 6 7 o o o 7 8 - o o 
PdZn2 crystallizes in the triclinic P1 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to one Zn(6), two equivalent Zn(1), and two equivalent Zn(3) atoms. The Pd(1)-Zn(6) bond length is 2.70 Å. There is one shorter (1.35 Å) and one longer (1.84 Å) Pd(1)-Zn(1) bond length. There is one shorter (2.05 Å) and one longer (2.40 Å) Pd(1)-Zn(3) bond length. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Pd(3), one Zn(1), and two equivalent Zn(6) atoms. The Pd(2)-Pd(3) bond length is 1.88 Å. The Pd(2)-Zn(1) bond length is 2.28 Å. There is one shorter (2.70 Å) and one longer (2.97 Å) Pd(2)-Zn(6) bond length. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to one Pd(2), one Zn(4), and two equivalent Zn(2) atoms. The Pd(3)-Zn(4) bond length is 3.10 Å. There is one shorter (1.24 Å) and one longer (1.76 Å) Pd(3)-Zn(2) bond length. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Pd(2), two equivalent Pd(1), and one Zn(4) atom. The Zn(1)-Zn(4) bond length is 2.90 Å. In the second Zn site, Zn(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pd(3) and one Zn(5) atom. The Zn(2)-Zn(5) bond length is 0.57 Å. In the third Zn site, Zn(3) is bonded in a 2-coordinate geometry to two equivalent Pd(1) and two equivalent Zn(6) atoms. There is one shorter (2.61 Å) and one longer (2.89 Å) Zn(3)-Zn(6) bond length. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to one Pd(3), one Zn(1), two equivalent Zn(4), and two equivalent Zn(6) atoms. Both Zn(4)-Zn(4) bond lengths are 2.80 Å. There is one shorter (1.84 Å) and one longer (2.23 Å) Zn(4)-Zn(6) bond length. In the fifth Zn site, Zn(5) is bonded in a distorted single-bond geometry to one Zn(2) atom. In the sixth Zn site, Zn(6) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(2), two equivalent Zn(3), two equivalent Zn(4), and two equivalent Zn(6) atoms. Both Zn(6)-Zn(6) bond lengths are 2.80 Å.