data_Tl2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrHg
_chemical_formula_sum   'Tl2 Cr1 Hg1'
_cell_volume   91.32
_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  0.0  0.04  1.0
  Tl  Tl3  1  0.58  0.58  0.79  1.0
  Cr  Cr0  1  0.0  0.0  0.68  1.0
  Hg  Hg1  1  0.58  0.58  0.36  1.0

data_Tl2CrHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CrHg
_chemical_formula_sum   'Tl4 Cr2 Hg2'
_cell_volume   182.64
_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  2  0.0  0.0  0.04  1.0
  Tl  Tl1  2  0.08  0.5  0.79  1.0
  Cr  Cr2  2  0.0  0.0  0.68  1.0
  Hg  Hg3  2  0.08  0.5  0.36  1.0

Tl Tl Cr Hg
CrHgTl2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 4-coordinate geometry to one Hg(1), one Tl(1), and four equivalent Tl(2) atoms. The Cr(1)-Hg(1) bond length is 3.47 Å. The Cr(1)-Tl(1) bond length is 3.32 Å. There are a spread of Cr(1)-Tl(2) bond distances ranging from 2.15-2.79 Å. Hg(1) is bonded in a 6-coordinate geometry to one Cr(1), four equivalent Hg(1), and one Tl(1) atom. All Hg(1)-Hg(1) bond lengths are 3.16 Å. The Hg(1)-Tl(1) bond length is 3.46 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to one Cr(1), one Hg(1), four equivalent Tl(1), and four equivalent Tl(2) atoms. All Tl(1)-Tl(1) bond lengths are 3.16 Å. There are a spread of Tl(1)-Tl(2) bond distances ranging from 2.94-3.44 Å. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to four equivalent Cr(1) and four equivalent Tl(1) atoms.