data_TaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2
_chemical_formula_sum   'Ta2 Ga4'
_cell_volume   100.65
_cell_formula_units_Z   2
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  Ta4  1  0.0  0.72  0.92  1.0
  Ta  Ta5  1  0.36  0.36  0.31  1.0
  Ga  Ga0  1  0.0  0.0  0.62  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.36  0.36  0.92  1.0
  Ga  Ga3  1  0.0  0.72  0.31  1.0

data_TaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2
_chemical_formula_sum   'Ta2 Ga4'
_cell_volume   100.65
_cell_formula_units_Z   2
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  0.72  0.92  1.0
  Ta  Ta1  1  0.36  0.36  0.31  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.62  1.0
  Ga  Ga4  1  0.0  0.72  0.31  1.0
  Ga  Ga5  1  0.36  0.36  0.92  1.0

Ta Ta Ga Ga Ga Ga
TaGa2 crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(2), one Ga(4), and two equivalent Ga(3) atoms. The Ta(1)-Ga(1) bond length is 2.08 Å. The Ta(1)-Ga(2) bond length is 1.37 Å. The Ta(1)-Ga(4) bond length is 2.01 Å. There is one shorter (2.63 Å) and one longer (2.93 Å) Ta(1)-Ga(3) bond length. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to one Ga(1), one Ga(2), one Ga(3), and three equivalent Ga(4) atoms. The Ta(2)-Ga(1) bond length is 2.34 Å. The Ta(2)-Ga(2) bond length is 2.34 Å. The Ta(2)-Ga(3) bond length is 2.01 Å. There are a spread of Ta(2)-Ga(4) bond distances ranging from 2.62-2.93 Å. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Ga(2), one Ga(3), and one Ga(4) atom. The Ga(1)-Ga(2) bond length is 2.01 Å. The Ga(1)-Ga(3) bond length is 2.34 Å. The Ga(1)-Ga(4) bond length is 2.08 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(2), one Ga(1), one Ga(3), and one Ga(4) atom. The Ga(2)-Ga(3) bond length is 1.74 Å. The Ga(2)-Ga(4) bond length is 2.08 Å. In the third Ga site, Ga(3) is bonded in a 4-coordinate geometry to one Ta(2), two equivalent Ta(1), one Ga(1), and one Ga(2) atom. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Ta(1), three equivalent Ta(2), one Ga(1), and one Ga(2) atom.