data_TaReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.87
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReHg2
_chemical_formula_sum   'Ta1 Re1 Hg2'
_cell_volume   74.39
_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  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.88  0.0  0.69  1.0
  Hg  Hg0  1  0.7  0.43  0.37  1.0
  Hg  Hg1  1  0.06  0.43  0.01  1.0

data_TaReHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.87
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReHg2
_chemical_formula_sum   'Ta1 Re1 Hg2'
_cell_volume   74.39
_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  0.0  0.0  1.0
  Re  Re1  1  0.88  0.0  0.69  1.0
  Hg  Hg2  1  0.06  0.43  0.01  1.0
  Hg  Hg3  1  0.7  0.43  0.37  1.0

Ta Re Hg Hg
TaReHg2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 2-coordinate geometry to one Re(1) and one Hg(2) atom. The Ta(1)-Re(1) bond length is 1.66 Å. The Ta(1)-Hg(2) bond length is 2.12 Å. Re(1) is bonded in a single-bond geometry to one Ta(1) and two equivalent Hg(1) atoms. There is one shorter (2.74 Å) and one longer (3.26 Å) Re(1)-Hg(1) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Hg(2) atoms. There is one shorter (2.36 Å) and one longer (2.40 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Ta(1) and two equivalent Hg(1) atoms.