data_Tc2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   9.79
_cell_length_c   9.79
_cell_angle_alpha   16.61
_cell_angle_beta   16.61
_cell_angle_gamma   16.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgHg
_chemical_formula_sum   'Tc2 Ag1 Hg1'
_cell_volume   66.8
_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  0.0  0.0  0.67  1.0
  Tc  Tc3  1  0.0  0.0  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.47  1.0

data_Tc2AgHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2AgHg
_chemical_formula_sum   'Tc4 Ag2 Hg2'
_cell_volume   133.61
_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  0.33  1.0
  Tc  Tc1  2  0.0  0.0  0.73  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.53  1.0

Tc Tc Ag Hg
Tc2AgHg crystallizes in the monoclinic Cm space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Ag(1) and one Hg(1) atom. The Tc(1)-Ag(1) bond length is 3.19 Å. The Tc(1)-Hg(1) bond length is 1.97 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Ag(1) and one Hg(1) atom. The Tc(2)-Ag(1) bond length is 2.66 Å. The Tc(2)-Hg(1) bond length is 1.97 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Tc(1); one Tc(2); and six Ag(1,1) atoms to form a mixture of distorted edge and corner-sharing AgTc2Ag6 hexagonal bipyramids. All Ag(1)-Ag(1,1) bond lengths are 2.83 Å. In the second Ag site, Ag(1) is bonded to one Tc(1); one Tc(2); and six Ag(1,1) atoms to form a mixture of distorted edge and corner-sharing AgTc2Ag6 hexagonal bipyramids. The Ag(1)-Tc(1) bond length is 3.19 Å. The Ag(1)-Tc(2) bond length is 2.66 Å. Both Ag(1)-Ag(1) bond lengths are 2.83 Å. Hg(1) is bonded in a linear geometry to one Tc(1) and one Tc(2) atom.