data_Tl2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReHg
_chemical_formula_sum   'Tl2 Re1 Hg1'
_cell_volume   84.75
_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  0.0  0.56  0.61  1.0
  Tl  Tl3  1  0.56  0.0  0.61  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.56  0.56  0.0  1.0

data_Tl2ReHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2ReHg
_chemical_formula_sum   'Tl4 Re2 Hg2'
_cell_volume   169.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tl0  4  0.28  0.28  0.61  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.06  0.5  -0.0  1.0

Tl Tl Re Hg
Tl Tl Re Hg 0 3 - o o 0 3 - o + 0 3 o o + 0 1 - + o 0 2 o o + 0 2 o + o 0 2 o + + 0 0 o o + 1 2 o o + 1 2 + o o 1 2 + o + 1 3 o - o 1 3 o - + 1 3 o o + 1 1 o o + 2 3 - - o 2 2 o o + 3 3 o o + 
ReHgTl2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 2-coordinate geometry to two equivalent Tl(1) atoms. Both Re(1)-Tl(1) bond lengths are 2.56 Å. Hg(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. There are a spread of Hg(1)-Tl(1) bond distances ranging from 2.56-3.15 Å. Tl(1) is bonded in a 2-coordinate geometry to one Re(1) and three equivalent Hg(1) atoms.