data_TlCuNiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuNiPb
_chemical_formula_sum   'Tl1 Cu1 Ni1 Pb1'
_cell_volume   80.82
_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  0.43  0.43  0.43  1.0
  Cu  Cu0  1  0.72  0.72  0.72  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.15  0.15  0.15  1.0

data_TlCuNiPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCuNiPb
_chemical_formula_sum   'Tl3 Cu3 Ni3 Pb3'
_cell_volume   242.45
_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  0.57  1.0
  Cu  Cu1  3  0.0  0.0  0.28  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.85  1.0

Tl Cu Ni Pb
Tl Cu Ni Pb 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 3 o + + 1 3 + o + 1 3 + + o 1 2 o + + 1 2 + o + 1 2 + + o 1 2 + + + 2 3 o o o 
NiCuTlPb crystallizes in the trigonal R3m space group. Ni(1) is bonded in a single-bond geometry to three equivalent Cu(1), three equivalent Tl(1), and one Pb(1) atom. All Ni(1)-Cu(1) bond lengths are 2.86 Å. All Ni(1)-Tl(1) bond lengths are 3.04 Å. The Ni(1)-Pb(1) bond length is 1.75 Å. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Ni(1), four equivalent Tl(1), and three equivalent Pb(1) atoms. There are three shorter (2.86 Å) and one longer (3.38 Å) Cu(1)-Tl(1) bond length. All Cu(1)-Pb(1) bond lengths are 3.04 Å. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Ni(1), four equivalent Cu(1), and four equivalent Pb(1) atoms. There are three shorter (2.86 Å) and one longer (3.38 Å) Tl(1)-Pb(1) bond length. Pb(1) is bonded in a distorted single-bond geometry to one Ni(1), three equivalent Cu(1), and four equivalent Tl(1) atoms.