data_TlHgPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgPbW
_chemical_formula_sum   'Tl1 Hg1 Pb1 W1'
_cell_volume   98.08
_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  Tl2  1  0.49  0.49  0.49  1.0
  Hg  Hg0  1  0.66  0.66  0.66  1.0
  Pb  Pb1  1  0.83  0.83  0.83  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlHgPbW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlHgPbW
_chemical_formula_sum   'Tl3 Hg3 Pb3 W3'
_cell_volume   294.24
_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  0.51  1.0
  Hg  Hg1  3  0.0  0.0  0.34  1.0
  Pb  Pb2  3  0.0  0.0  0.17  1.0
  W  W3  3  0.0  0.0  0.0  1.0

Tl Hg Pb W
Tl Hg Pb W 0 1 o o o 1 2 o o o 2 3 + + + 
WHgTlPb crystallizes in the trigonal R3m space group. W(1) is bonded in a 7-coordinate geometry to three equivalent Hg(1), three equivalent Tl(1), and one Pb(1) atom. All W(1)-Hg(1) bond lengths are 2.99 Å. All W(1)-Tl(1) bond lengths are 3.59 Å. The W(1)-Pb(1) bond length is 2.15 Å. Hg(1) is bonded to three equivalent W(1), one Tl(1), and one Pb(1) atom to form distorted HgTlPbW3 trigonal bipyramids that share corners with six equivalent Hg(1)TlPbW3 trigonal bipyramids and edges with three equivalent Pb(1)Tl3HgW trigonal bipyramids. The Hg(1)-Tl(1) bond length is 2.15 Å. The Hg(1)-Pb(1) bond length is 2.15 Å. Tl(1) is bonded in a 7-coordinate geometry to three equivalent W(1), one Hg(1), and three equivalent Pb(1) atoms. All Tl(1)-Pb(1) bond lengths are 2.99 Å. Pb(1) is bonded to one W(1), one Hg(1), and three equivalent Tl(1) atoms to form distorted PbTl3HgW trigonal bipyramids that share corners with six equivalent Pb(1)Tl3HgW trigonal bipyramids and edges with three equivalent Hg(1)TlPbW3 trigonal bipyramids.