data_TlHg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2Pd
_chemical_formula_sum   'Tl1 Hg2 Pd1'
_cell_volume   92.22
_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  Tl3  1  0.0  0.0  0.5  1.0
  Hg  Hg0  1  0.6  0.6  0.17  1.0
  Hg  Hg1  1  0.6  0.6  0.84  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TlHg2Pd
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   9.01
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TlHg2Pd
_chemical_formula_sum   'Tl2 Hg4 Pd2'
_cell_volume   184.44
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.5  0.0  0.0  1.0
  Hg  Hg1  4  0.16  0.0  0.6  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Tl Hg Hg Pd
Tl Hg Hg Pd 0 1 - - o 0 1 - o o 0 1 o - o 0 2 - - o 0 2 - o o 0 2 o - o 0 0 + o o 0 0 o + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
PdHg2Tl crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a 8-coordinate geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. There are a spread of Pd(1)-Hg(1) bond distances ranging from 2.36-3.11 Å. There are a spread of Pd(1)-Hg(2) bond distances ranging from 2.32-3.08 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 1-coordinate geometry to four equivalent Pd(1) and one Tl(1) atom. The Hg(1)-Tl(1) bond length is 3.52 Å. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to four equivalent Pd(1) and one Tl(1) atom. The Hg(2)-Tl(1) bond length is 3.52 Å. Tl(1) is bonded in a 6-coordinate geometry to one Hg(1), one Hg(2), and four equivalent Tl(1) atoms. All Tl(1)-Tl(1) bond lengths are 3.20 Å.