data_TlCr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Hg
_chemical_formula_sum   'Tl1 Cr2 Hg1'
_cell_volume   77.38
_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  0.0  0.0  0.54  1.0
  Cr  Cr0  1  0.65  0.65  0.4  1.0
  Cr  Cr1  1  0.65  0.65  0.69  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0

data_TlCr2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2Hg
_chemical_formula_sum   'Tl2 Cr4 Hg2'
_cell_volume   154.77
_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  0.54  1.0
  Cr  Cr1  2  0.15  0.5  0.4  1.0
  Cr  Cr2  2  0.15  0.5  0.69  1.0
  Hg  Hg3  2  0.0  0.0  0.0  1.0

Tl Cr Cr Hg
Tl Cr Cr Hg 0 1 - - o 0 2 - - o 0 3 o o + 1 2 o o o 1 3 + + o 1 3 + o o 1 3 o + o 2 3 + + + 2 3 + o + 2 3 o + + 2 3 o o + 3 3 + o o 3 3 o + o 
Cr2HgTl crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one Cr(2), one Hg(1), and three equivalent Tl(1) atoms. The Cr(1)-Cr(2) bond length is 2.03 Å. The Cr(1)-Hg(1) bond length is 3.28 Å. There is one shorter (1.92 Å) and two longer (2.64 Å) Cr(1)-Tl(1) bond lengths. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Cr(1), three equivalent Hg(1), and one Tl(1) atom. There is one shorter (2.75 Å) and two longer (3.30 Å) Cr(2)-Hg(1) bond lengths. The Cr(2)-Tl(1) bond length is 1.92 Å. Hg(1) is bonded in a 9-coordinate geometry to one Cr(1), three equivalent Cr(2), four equivalent Hg(1), and one Tl(1) atom. All Hg(1)-Hg(1) bond lengths are 3.30 Å. The Hg(1)-Tl(1) bond length is 3.23 Å. Tl(1) is bonded in a 2-coordinate geometry to one Cr(2), three equivalent Cr(1), and one Hg(1) atom.