data_YTa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   17.37
_cell_angle_beta   17.37
_cell_angle_gamma   17.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Hg
_chemical_formula_sum   'Y1 Ta2 Hg1'
_cell_volume   86.21
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.53  1.0
  Ta  Ta2  1  0.0  0.0  0.04  1.0
  Hg  Hg0  1  0.0  0.0  0.28  1.0

data_YTa2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.13
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2Hg
_chemical_formula_sum   'Y2 Ta4 Hg2'
_cell_volume   172.42
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.47  1.0
  Ta  Ta2  2  0.0  0.0  0.96  1.0
  Hg  Hg3  2  0.0  0.0  0.72  1.0

Y Ta Ta Hg
YTa2Hg is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YTa2Hg clusters. Y(1) is bonded in a single-bond geometry to one Ta(2) atom. The Y(1)-Ta(2) bond length is 0.41 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Hg(1) atom. The Ta(1)-Hg(1) bond length is 2.54 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Y(1) and one Hg(1) atom. The Ta(2)-Hg(1) bond length is 2.54 Å. Hg(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom.