data_Tc2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.95
_cell_angle_alpha   99.9
_cell_angle_beta   99.9
_cell_angle_gamma   33.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgIr
_chemical_formula_sum   'Tc2 Hg1 Ir1'
_cell_volume   63.91
_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  Tc2  1  0.13  0.0  0.82  1.0
  Tc  Tc3  1  0.74  0.0  0.82  1.0
  Hg  Hg0  1  0.2  0.0  0.42  1.0
  Ir  Ir1  1  0.67  0.0  0.11  1.0

data_Tc2HgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.86
_cell_length_c   4.95
_cell_angle_alpha   99.9
_cell_angle_beta   90.0
_cell_angle_gamma   106.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgIr
_chemical_formula_sum   'Tc2 Hg1 Ir1'
_cell_volume   63.91
_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  Tc0  1  0.0  0.26  0.18  1.0
  Tc  Tc1  1  0.0  0.87  0.18  1.0
  Hg  Hg2  1  0.0  0.8  0.58  1.0
  Ir  Ir3  1  0.0  0.33  0.89  1.0

Tc Tc Hg Ir
Tc2IrHg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Tc2IrHg cluster. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2) and one Hg(1) atom. The Tc(1)-Tc(2) bond length is 1.92 Å. The Tc(1)-Hg(1) bond length is 2.10 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Tc(1) and one Ir(1) atom. The Tc(2)-Ir(1) bond length is 1.49 Å. Ir(1) is bonded in a single-bond geometry to one Tc(2) atom. Hg(1) is bonded in a 1-coordinate geometry to one Tc(1) atom.