data_ZrTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.73
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlPd2
_chemical_formula_sum   'Zr1 Tl1 Pd2'
_cell_volume   76.34
_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
  Zr  Zr3  1  0.0  0.0  0.78  1.0
  Tl  Tl2  1  0.69  0.87  0.85  1.0
  Pd  Pd0  1  0.69  0.87  0.97  1.0
  Pd  Pd1  1  0.0  0.0  0.5  1.0

data_ZrTlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.73
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlPd2
_chemical_formula_sum   'Zr1 Tl1 Pd2'
_cell_volume   76.34
_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
  Zr  Zr0  1  0.0  0.0  0.78  1.0
  Tl  Tl1  1  0.69  0.87  0.85  1.0
  Pd  Pd2  1  0.0  0.0  0.5  1.0
  Pd  Pd3  1  0.69  0.87  0.97  1.0

Zr Tl Pd Pd
Zr Tl Pd Pd 0 1 - - o 0 3 o o o 1 2 o o o 
ZrPd2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrPd2Tl cluster. Zr(1) is bonded in a distorted water-like geometry to one Pd(2) and one Tl(1) atom. The Zr(1)-Pd(2) bond length is 1.66 Å. The Zr(1)-Tl(1) bond length is 1.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Tl(1) atom. The Pd(1)-Tl(1) bond length is 0.76 Å. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Zr(1) atom. Tl(1) is bonded in a distorted water-like geometry to one Zr(1) and one Pd(1) atom.