data_Tc2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   20.84
_cell_angle_beta   20.84
_cell_angle_gamma   20.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgTe
_chemical_formula_sum   'Tc2 Hg1 Te1'
_cell_volume   72.85
_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
  Tc  Tc1  1  0.0  0.0  0.53  1.0
  Tc  Tc2  1  0.0  0.0  0.98  1.0
  Hg  Hg0  1  0.0  0.0  0.76  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Tc2HgTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.14
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2HgTe
_chemical_formula_sum   'Tc4 Hg2 Te2'
_cell_volume   145.69
_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
  Tc  Tc0  2  -0.0  0.0  0.47  1.0
  Tc  Tc1  2  -0.0  0.0  0.02  1.0
  Hg  Hg2  2  -0.0  0.0  0.24  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Tc Tc Hg Te
Tc Tc Hg Te 0 2 o o o 1 3 o o + 1 2 o o o 2 3 o o + 
Tc2HgTe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Tc2HgTe clusters. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Hg(1) atom. The Tc(1)-Hg(1) bond length is 1.95 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Hg(1) and one Te(1) atom. The Tc(2)-Hg(1) bond length is 1.95 Å. The Tc(2)-Te(1) bond length is 0.17 Å. Hg(1) is bonded in a linear geometry to one Tc(1) and one Tc(2) atom. Te(1) is bonded in a single-bond geometry to one Tc(2) atom.