data_TlZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnPd2
_chemical_formula_sum   'Tl1 Zn1 Pd2'
_cell_volume   71.33
_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
  Tl  Tl2  1  0.71  0.71  0.96  1.0
  Zn  Zn3  1  0.0  0.0  0.97  1.0
  Pd  Pd0  1  0.71  0.71  0.91  1.0
  Pd  Pd1  1  0.0  0.0  0.46  1.0

data_TlZnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZnPd2
_chemical_formula_sum   'Tl2 Zn2 Pd4'
_cell_volume   142.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tl  Tl0  2  0.21  0.5  0.96  1.0
  Zn  Zn1  2  0.0  0.0  0.97  1.0
  Pd  Pd2  2  0.0  0.0  0.46  1.0
  Pd  Pd3  2  0.21  0.5  0.91  1.0

Tl Zn Pd Pd
Tl Zn Pd Pd 0 2 o o o 0 1 + + o 0 3 + + + 0 3 + + o 1 2 - - o 1 3 o o + 1 3 o o o 2 3 + + + 2 3 + + o 2 3 + o o 2 3 o + o 3 3 + o o 3 3 o + o 
Pd2ZnTl crystallizes in the monoclinic Cm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Pd(2), three equivalent Zn(1), and one Tl(1) atom. The Pd(1)-Pd(2) bond length is 3.06 Å. There is one shorter (1.46 Å) and two longer (2.64 Å) Pd(1)-Zn(1) bond lengths. The Pd(1)-Tl(1) bond length is 0.33 Å. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(1), four equivalent Pd(2), two equivalent Zn(1), and one Tl(1) atom. All Pd(2)-Pd(2) bond lengths are 3.41 Å. There is one shorter (3.04 Å) and one longer (3.08 Å) Pd(2)-Zn(1) bond length. The Pd(2)-Tl(1) bond length is 3.38 Å. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Pd(2), three equivalent Pd(1), and three equivalent Tl(1) atoms. There is one shorter (1.41 Å) and two longer (2.61 Å) Zn(1)-Tl(1) bond lengths. Tl(1) is bonded in a single-bond geometry to one Pd(1), one Pd(2), and three equivalent Zn(1) atoms.