data_CuTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Hg
_chemical_formula_sum   'Cu1 Tc2 Hg1'
_cell_volume   62.17
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.37  0.37  0.47  1.0
  Tc  Tc3  1  0.37  0.37  0.86  1.0
  Hg  Hg1  1  0.0  0.0  0.16  1.0

data_CuTc2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTc2Hg
_chemical_formula_sum   'Cu2 Tc4 Hg2'
_cell_volume   124.34
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.37  0.0  0.47  1.0
  Tc  Tc2  2  0.37  0.0  0.86  1.0
  Hg  Hg3  2  0.0  0.0  0.16  1.0

Cu Tc Tc Hg
Tc2CuHg crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 8-coordinate geometry to one Tc(2), four equivalent Tc(1), and three equivalent Hg(1) atoms. The Tc(1)-Tc(2) bond length is 3.22 Å. All Tc(1)-Tc(1) bond lengths are 2.73 Å. There is one shorter (2.92 Å) and two longer (3.24 Å) Tc(1)-Hg(1) bond lengths. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to one Tc(1) and one Cu(1) atom. The Tc(2)-Cu(1) bond length is 1.86 Å. Cu(1) is bonded in a distorted single-bond geometry to one Tc(2) and one Hg(1) atom. The Cu(1)-Hg(1) bond length is 1.35 Å. Hg(1) is bonded in a single-bond geometry to three equivalent Tc(1) and one Cu(1) atom.