data_TlGaHgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaHgPd
_chemical_formula_sum   'Tl1 Ga1 Hg1 Pd1'
_cell_volume   86.57
_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  0.27  0.27  0.27  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.51  0.51  0.51  1.0
  Pd  Pd2  1  0.76  0.76  0.76  1.0

data_TlGaHgPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlGaHgPd
_chemical_formula_sum   'Tl3 Ga3 Hg3 Pd3'
_cell_volume   259.71
_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  0.73  1.0
  Ga  Ga1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.49  1.0
  Pd  Pd3  3  0.0  0.0  0.24  1.0

Tl Ga Hg Pd
PdHgTlGa crystallizes in the trigonal R3m space group. Pd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), three equivalent Tl(1), and four equivalent Ga(1) atoms. There is one shorter (2.97 Å) and three longer (3.06 Å) Pd(1)-Hg(1) bond lengths. All Pd(1)-Tl(1) bond lengths are 3.43 Å. There is one shorter (2.97 Å) and three longer (3.06 Å) Pd(1)-Ga(1) bond lengths. Hg(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Tl(1) atoms. There is one shorter (2.97 Å) and three longer (3.06 Å) Hg(1)-Tl(1) bond lengths. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Pd(1), four equivalent Hg(1), and four equivalent Ga(1) atoms. There are three shorter (2.98 Å) and one longer (3.24 Å) Tl(1)-Ga(1) bond length. Ga(1) is bonded in a body-centered cubic geometry to four equivalent Pd(1) and four equivalent Tl(1) atoms.