data_Ta2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ga
_chemical_formula_sum   'Ta8 Ga4'
_cell_volume   230.15
_cell_formula_units_Z   4
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  0.8  0.87  0.33  1.0
  Ta  Ta5  1  0.33  0.26  0.8  1.0
  Ta  Ta6  1  0.87  0.33  0.8  1.0
  Ta  Ta7  1  0.26  0.8  0.33  1.0
  Ta  Ta8  1  0.33  0.8  0.87  1.0
  Ta  Ta9  1  0.8  0.33  0.26  1.0
  Ta  Ta10  1  0.26  0.26  0.26  1.0
  Ta  Ta11  1  0.87  0.87  0.87  1.0
  Ga  Ga0  1  0.06  0.0  0.06  1.0
  Ga  Ga1  1  0.0  0.06  0.06  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.06  0.06  0.0  1.0

data_Ta2Ga
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ta2Ga
_chemical_formula_sum   'Ta24 Ga12'
_cell_volume   690.46
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.01  0.53  0.8  1.0
  Ta  Ta1  9  0.14  0.34  0.66  1.0
  Ta  Ta2  3  0.0  0.0  0.26  1.0
  Ta  Ta3  3  0.0  0.0  0.87  1.0
  Ga  Ga4  9  0.02  0.04  0.04  1.0
  Ga  Ga5  3  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ga Ga Ga Ga
Ta Ta Ta Ta Ta Ta Ta Ta Ga Ga Ga Ga 0 3 + o o 0 11 + + o 0 10 + + o 0 9 + + o 0 8 + + o 0 5 o + o 0 7 o o - 1 11 o o + 1 10 o o + 1 9 o o + 1 8 o o + 1 6 o o + 1 2 - o o 1 4 o - o 2 5 o o + 2 11 + o + 2 10 + o + 2 9 + o + 2 8 + o + 2 7 o - o 3 11 o + o 3 10 o + o 3 9 o + o 3 8 o + o 3 6 o + o 3 4 o o - 4 11 o + + 4 10 o + + 4 9 o + + 4 8 o + + 4 7 - o o 5 11 + o o 5 10 + o o 5 9 + o o 5 8 + o o 5 6 + o o 6 11 o o o 6 10 o o o 6 9 o o o 6 8 o o o 7 10 + + + 8 10 o o o 8 9 o o o 8 11 o o o 9 10 o o o 9 11 o o o 10 11 o o o 
Ta2Ga crystallizes in the trigonal R3 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 9-coordinate geometry to two equivalent Ta(4), four equivalent Ta(2), one Ga(2), and two equivalent Ga(1) atoms. There is one shorter (2.84 Å) and one longer (3.33 Å) Ta(1)-Ta(4) bond length. There are two shorter (2.84 Å) and two longer (3.33 Å) Ta(1)-Ta(2) bond lengths. The Ta(1)-Ga(2) bond length is 2.48 Å. There is one shorter (2.35 Å) and one longer (2.41 Å) Ta(1)-Ga(1) bond length. In the second Ta site, Ta(2) is bonded in a single-bond geometry to two equivalent Ta(3), four equivalent Ta(1), and one Ga(1) atom. There is one shorter (2.84 Å) and one longer (3.33 Å) Ta(2)-Ta(3) bond length. The Ta(2)-Ga(1) bond length is 2.35 Å. In the third Ta site, Ta(3) is bonded in a 9-coordinate geometry to six equivalent Ta(2) and three equivalent Ga(1) atoms. All Ta(3)-Ga(1) bond lengths are 2.35 Å. In the fourth Ta site, Ta(4) is bonded in a single-bond geometry to six equivalent Ta(1) and one Ga(2) atom. The Ta(4)-Ga(2) bond length is 1.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one Ta(2), one Ta(3), two equivalent Ta(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 0.56 Å. Both Ga(1)-Ga(1) bond lengths are 0.56 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Ta(4), three equivalent Ta(1), and three equivalent Ga(1) atoms.