data_TlInHgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInHgPd
_chemical_formula_sum   'Tl1 In1 Hg1 Pd1'
_cell_volume   92.87
_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  0.8  0.8  0.8  1.0
  In  In1  1  0.59  0.59  0.59  1.0
  Hg  Hg0  1  0.39  0.39  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TlInHgPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlInHgPd
_chemical_formula_sum   'Tl3 In3 Hg3 Pd3'
_cell_volume   278.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.2  1.0
  In  In1  3  0.0  0.0  0.41  1.0
  Hg  Hg2  3  0.0  0.0  0.61  1.0
  Pd  Pd3  3  0.0  0.0  -0.0  1.0

Tl In Hg Pd
Tl In Hg Pd 0 1 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 + + + 0 3 + + o 0 3 o + + 0 3 + o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 o o + 1 3 o + + 1 3 + o + 1 3 + + o 2 3 o o + 2 3 o + o 2 3 + o o 
PdHgTlIn crystallizes in the trigonal R3m space group. Pd(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1), one Tl(1), and three equivalent In(1) atoms. All Pd(1)-Hg(1) bond lengths are 3.02 Å. The Pd(1)-Tl(1) bond length is 2.53 Å. All Pd(1)-In(1) bond lengths are 3.07 Å. Hg(1) is bonded in a 7-coordinate geometry to three equivalent Pd(1), three equivalent Tl(1), and one In(1) atom. All Hg(1)-Tl(1) bond lengths are 3.07 Å. The Hg(1)-In(1) bond length is 2.53 Å. Tl(1) is bonded in a 2-coordinate geometry to one Pd(1), three equivalent Hg(1), and one In(1) atom. The Tl(1)-In(1) bond length is 2.53 Å. In(1) is bonded in a 5-coordinate geometry to three equivalent Pd(1), one Hg(1), and one Tl(1) atom.