data_TlNiPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiPdAu
_chemical_formula_sum   'Tl1 Ni1 Pd1 Au1'
_cell_volume   67.74
_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  0.62  0.62  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.85  0.85  0.85  1.0
  Au  Au0  1  0.24  0.24  0.24  1.0

data_TlNiPdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlNiPdAu
_chemical_formula_sum   'Tl3 Ni3 Pd3 Au3'
_cell_volume   203.23
_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  0.38  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.15  1.0
  Au  Au3  3  0.0  0.0  0.76  1.0

Tl Ni Pd Au
PdNiAuTl crystallizes in the trigonal R3m space group. Pd(1) is bonded in a distorted single-bond geometry to one Ni(1), three equivalent Au(1), and four equivalent Tl(1) atoms. The Pd(1)-Ni(1) bond length is 1.64 Å. All Pd(1)-Au(1) bond lengths are 2.70 Å. There is one shorter (2.64 Å) and three longer (2.86 Å) Pd(1)-Tl(1) bond lengths. Ni(1) is bonded in a distorted single-bond geometry to one Pd(1), four equivalent Au(1), and three equivalent Tl(1) atoms. There is one shorter (2.64 Å) and three longer (2.86 Å) Ni(1)-Au(1) bond lengths. All Ni(1)-Tl(1) bond lengths are 2.70 Å. Au(1) is bonded in a 10-coordinate geometry to three equivalent Pd(1), four equivalent Ni(1), and three equivalent Tl(1) atoms. All Au(1)-Tl(1) bond lengths are 2.70 Å. Tl(1) is bonded in a 10-coordinate geometry to four equivalent Pd(1), three equivalent Ni(1), and three equivalent Au(1) atoms.