data_TaTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   2.84
_cell_angle_alpha   97.2
_cell_angle_beta   97.2
_cell_angle_gamma   119.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcHg2
_chemical_formula_sum   'Ta1 Tc1 Hg2'
_cell_volume   73.93
_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
  Ta  Ta2  1  0.81  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.05  0.61  0.38  1.0
  Hg  Hg1  1  0.05  0.39  0.38  1.0

data_TaTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   119.19
_cell_angle_beta   97.2
_cell_angle_gamma   97.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcHg2
_chemical_formula_sum   'Ta1 Tc1 Hg2'
_cell_volume   73.93
_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
  Ta  Ta0  1  0.0  0.81  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.38  0.05  0.39  1.0
  Hg  Hg3  1  0.38  0.05  0.61  1.0

Ta Tc Hg Hg
Ta Tc Hg Hg 0 1 + o o 2 3 o o o 
TaTcHg2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaTcHg2 cluster. Ta(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Hg(2) atom. The Ta(1)-Tc(1) bond length is 1.07 Å. The Ta(1)-Hg(2) bond length is 1.97 Å. Tc(1) is bonded in a single-bond geometry to one Ta(1) atom. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.20 Å. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Hg(1) atom.