data_TaGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   5.06
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Hg
_chemical_formula_sum   'Ta1 Ga2 Hg1'
_cell_volume   73.37
_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  0.2  0.0  0.18  1.0
  Ga  Ga0  1  0.11  0.53  0.08  1.0
  Ga  Ga1  1  0.7  0.0  0.76  1.0
  Hg  Hg2  1  0.24  0.53  0.56  1.0

data_TaGa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.05
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Hg
_chemical_formula_sum   'Ta1 Ga2 Hg1'
_cell_volume   73.37
_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  0.8  0.82  0.0  1.0
  Ga  Ga1  1  0.3  0.24  0.0  1.0
  Ga  Ga2  1  0.89  0.92  0.47  1.0
  Hg  Hg3  1  0.76  0.44  0.47  1.0

Ta Ga Ga Hg
Ta Ga Ga Hg 0 1 o - o 0 1 o o o 0 2 - o - 0 2 o o - 0 2 o o o 0 2 - o o 0 0 + o o 0 3 o - o 1 1 + o o 1 3 o o - 1 3 o o o 1 2 o + - 1 2 - + - 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 3 3 + o o 
TaHgGa2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Hg(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (3.07 Å) and one longer (3.31 Å) Ta(1)-Hg(1) bond length. There is one shorter (2.44 Å) and one longer (2.73 Å) Ta(1)-Ga(1) bond length. There is one shorter (2.54 Å) and one longer (2.56 Å) Ta(1)-Ga(2) bond length. Hg(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), two equivalent Hg(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.87 Å. There is one shorter (2.42 Å) and one longer (2.69 Å) Hg(1)-Ga(1) bond length. There are a spread of Hg(1)-Ga(2) bond distances ranging from 2.90-3.26 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Hg(1) atoms. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and four equivalent Hg(1) atoms.