data_TaHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   130.97
_cell_angle_beta   130.97
_cell_angle_gamma   71.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgAs2
_chemical_formula_sum   'Ta1 Hg1 As2'
_cell_volume   75.9
_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
  Hg  Hg2  1  0.0  0.0  0.17  1.0
  As  As0  1  0.13  0.0  0.08  1.0
  As  As1  1  0.0  0.13  0.08  1.0

data_TaHgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   125.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaHgAs2
_chemical_formula_sum   'Ta2 Hg2 As4'
_cell_volume   151.8
_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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.33  0.5  0.83  1.0
  As  As2  4  0.48  0.43  0.05  1.0

Ta Hg As As
TaHgAs2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaHgAs2 clusters. Ta(1) is bonded in a distorted water-like geometry to one Hg(1) and two equivalent As(1) atoms. The Ta(1)-Hg(1) bond length is 0.85 Å. Both Ta(1)-As(1) bond lengths are 0.52 Å. Hg(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. As(1) is bonded in a single-bond geometry to one Ta(1) atom.