data_TlCoHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoHgPb
_chemical_formula_sum   'Tl1 Co1 Hg1 Pb1'
_cell_volume   95.25
_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  0.44  0.44  0.44  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.81  0.81  0.81  1.0
  Pb  Pb2  1  0.62  0.62  0.62  1.0

data_TlCoHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCoHgPb
_chemical_formula_sum   'Tl3 Co3 Hg3 Pb3'
_cell_volume   285.76
_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  0.56  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.19  1.0
  Pb  Pb3  3  0.0  0.0  0.38  1.0

Tl Co Hg Pb
Tl Co Hg Pb 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 0 3 o o o 1 2 - - - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 o o o 
CoHgTlPb crystallizes in the trigonal R3m space group. Co(1) is bonded in a 7-coordinate geometry to one Hg(1), three equivalent Tl(1), and three equivalent Pb(1) atoms. The Co(1)-Hg(1) bond length is 2.36 Å. All Co(1)-Tl(1) bond lengths are 3.23 Å. All Co(1)-Pb(1) bond lengths are 3.01 Å. Hg(1) is bonded in a 5-coordinate geometry to one Co(1), three equivalent Tl(1), and one Pb(1) atom. All Hg(1)-Tl(1) bond lengths are 3.01 Å. The Hg(1)-Pb(1) bond length is 2.36 Å. Tl(1) is bonded in a distorted single-bond geometry to three equivalent Co(1), three equivalent Hg(1), and one Pb(1) atom. The Tl(1)-Pb(1) bond length is 2.36 Å. Pb(1) is bonded in a 2-coordinate geometry to three equivalent Co(1), one Hg(1), and one Tl(1) atom.