data_TcHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57
_cell_length_b   9.57
_cell_length_c   9.57
_cell_angle_alpha   154.72
_cell_angle_beta   154.72
_cell_angle_gamma   36.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg3
_chemical_formula_sum   'Tc2 Hg6'
_cell_volume   159.54
_cell_formula_units_Z   2
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  Tc6  1  0.0  0.0  0.05  1.0
  Tc  Tc7  1  0.0  0.0  0.15  1.0
  Hg  Hg0  1  0.0  0.09  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.32  1.0
  Hg  Hg2  1  0.0  0.0  0.88  1.0
  Hg  Hg3  1  0.0  0.09  0.55  1.0
  Hg  Hg4  1  0.09  0.0  0.55  1.0
  Hg  Hg5  1  0.09  0.0  0.0  1.0

data_TcHg3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   108.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHg3
_chemical_formula_sum   'Tc4 Hg12'
_cell_volume   319.08
_cell_formula_units_Z   4
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  0.85  1.0
  Tc  Tc1  2  0.0  0.0  0.95  1.0
  Hg  Hg2  4  0.05  0.05  0.09  1.0
  Hg  Hg3  4  0.05  0.05  0.54  1.0
  Hg  Hg4  2  0.0  0.0  0.12  1.0
  Hg  Hg5  2  0.0  0.0  0.68  1.0

Tc Tc Hg Hg Hg Hg Hg Hg
TcHg3 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcHg3 clusters. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Tc(2) and two equivalent Hg(1) atoms. The Tc(1)-Tc(2) bond length is 0.93 Å. Both Tc(1)-Hg(1) bond lengths are 1.35 Å. In the second Tc site, Tc(2) is bonded in a linear geometry to one Tc(1) and one Hg(2) atom. The Tc(2)-Hg(2) bond length is 1.65 Å. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted trigonal planar geometry to one Tc(1), one Hg(1), and one Hg(3) atom. The Hg(1)-Hg(1) bond length is 0.55 Å. The Hg(1)-Hg(3) bond length is 0.53 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Tc(2) and two equivalent Hg(4) atoms. Both Hg(2)-Hg(4) bond lengths are 1.43 Å. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to two equivalent Hg(1) atoms. In the fourth Hg site, Hg(4) is bonded in a distorted single-bond geometry to one Hg(2) and one Hg(4) atom. The Hg(4)-Hg(4) bond length is 0.55 Å.