data_Ta2AlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlHg
_chemical_formula_sum   'Ta2 Al1 Hg1'
_cell_volume   72.09
_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  0.42  0.21  0.44  1.0
  Ta  Ta3  1  0.42  0.79  0.44  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.84  0.0  0.0  1.0

data_Ta2AlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   114.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlHg
_chemical_formula_sum   'Ta2 Al1 Hg1'
_cell_volume   72.09
_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  0.44  0.42  0.21  1.0
  Ta  Ta1  1  0.44  0.42  0.79  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  -0.0  0.84  0.0  1.0

Ta Ta Al Hg
Ta2HgAl crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Hg(1), and two equivalent Al(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.88 Å. There is one shorter (2.15 Å) and one longer (3.09 Å) Ta(1)-Ta(2) bond length. There is one shorter (3.09 Å) and one longer (3.25 Å) Ta(1)-Hg(1) bond length. There is one shorter (2.37 Å) and one longer (2.57 Å) Ta(1)-Al(1) bond length. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and two equivalent Hg(1) atoms. There is one shorter (2.37 Å) and one longer (2.57 Å) Ta(2)-Hg(1) bond length. Hg(1) is bonded in a distorted single-bond geometry to two equivalent Ta(1), two equivalent Ta(2), and one Al(1) atom. The Hg(1)-Al(1) bond length is 0.85 Å. Al(1) is bonded in a single-bond geometry to two equivalent Ta(1) and one Hg(1) atom.