data_InTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.04
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   98.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Hg
_chemical_formula_sum   'In1 Tc2 Hg1'
_cell_volume   72.04
_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
  In  In1  1  0.57  0.0  0.66  1.0
  Tc  Tc2  1  0.04  0.52  0.43  1.0
  Tc  Tc3  1  0.55  0.0  0.08  1.0
  Hg  Hg0  1  0.23  0.52  0.07  1.0

data_InTc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.08
_cell_length_c   7.77
_cell_angle_alpha   98.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Hg
_chemical_formula_sum   'In1 Tc2 Hg1'
_cell_volume   72.04
_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
  In  In0  1  0.0  0.43  0.34  1.0
  Tc  Tc1  1  0.0  0.45  0.92  1.0
  Tc  Tc2  1  0.48  0.96  0.57  1.0
  Hg  Hg3  1  0.48  0.77  0.93  1.0

In Tc Tc Hg
Tc2HgIn crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Hg(1) and four equivalent In(1) atoms. The Tc(1)-Hg(1) bond length is 2.93 Å. There are a spread of Tc(1)-In(1) bond distances ranging from 2.70-2.95 Å. In the second Tc site, Tc(2) is bonded in a 2-coordinate geometry to two equivalent Hg(1) and one In(1) atom. There is one shorter (1.75 Å) and one longer (1.86 Å) Tc(2)-Hg(1) bond length. The Tc(2)-In(1) bond length is 3.30 Å. Hg(1) is bonded in a 2-coordinate geometry to one Tc(1) and two equivalent Tc(2) atoms. In(1) is bonded in a 9-coordinate geometry to one Tc(2), four equivalent Tc(1), and four equivalent In(1) atoms. There are two shorter (3.04 Å) and two longer (3.08 Å) In(1)-In(1) bond lengths.