data_MnTl2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   134.74
_cell_angle_beta   134.74
_cell_angle_gamma   65.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Hg
_chemical_formula_sum   'Mn1 Tl2 Hg1'
_cell_volume   98.97
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.25  0.0  0.45  1.0
  Tl  Tl3  1  0.0  0.0  0.9  1.0
  Hg  Hg0  1  0.0  0.25  0.45  1.0

data_MnTl2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.84
_cell_angle_alpha   112.63
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Hg
_chemical_formula_sum   'Mn1 Tl2 Hg1'
_cell_volume   98.97
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.45  0.2  0.2  1.0
  Tl  Tl2  1  0.9  0.9  0.9  1.0
  Hg  Hg3  1  0.2  0.45  0.2  1.0

Mn Tl Tl Hg
MnHgTl2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnHgTl2 cluster. Mn(1) is bonded in a 1-coordinate geometry to one Hg(1), one Tl(1), and one Tl(2) atom. The Mn(1)-Hg(1) bond length is 1.91 Å. The Mn(1)-Tl(1) bond length is 1.91 Å. The Mn(1)-Tl(2) bond length is 0.59 Å. Hg(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Tl(1) atom. The Hg(1)-Tl(1) bond length is 1.57 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Hg(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Mn(1) atom.