data_Ta2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.09
_cell_angle_alpha   100.52
_cell_angle_beta   100.52
_cell_angle_gamma   35.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaSi
_chemical_formula_sum   'Ta2 Ga1 Si1'
_cell_volume   66.61
_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  0.55  0.0  0.23  1.0
  Ta  Ta3  1  0.58  0.0  0.77  1.0
  Ga  Ga0  1  0.07  0.0  0.5  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Ta2GaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.78
_cell_length_c   5.09
_cell_angle_alpha   100.52
_cell_angle_beta   90.0
_cell_angle_gamma   107.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaSi
_chemical_formula_sum   'Ta2 Ga1 Si1'
_cell_volume   66.61
_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  0.0  0.42  0.23  1.0
  Ta  Ta1  1  0.0  0.45  0.77  1.0
  Ga  Ga2  1  0.0  0.93  0.5  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Ta Ga Si
Ta Ta Ga Si 0 3 o o o 0 3 + o o 0 2 o o o 0 2 + o o 0 0 + - o 0 1 o o - 0 1 o o o 1 2 o o o 1 2 + o o 1 3 + o + 2 3 o o o 2 3 o o + 2 2 + - o 
Ta2GaSi crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), three equivalent Ga(1), and three equivalent Si(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.93 Å. There is one shorter (2.39 Å) and one longer (2.71 Å) Ta(1)-Ta(2) bond length. There are a spread of Ta(1)-Ga(1) bond distances ranging from 2.59-3.30 Å. There are a spread of Ta(1)-Si(1) bond distances ranging from 2.63-3.32 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to two equivalent Ta(1), three equivalent Ga(1), and one Si(1) atom. There are a spread of Ta(2)-Ga(1) bond distances ranging from 2.59-3.30 Å. The Ta(2)-Si(1) bond length is 2.13 Å. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), two equivalent Ga(1), and two equivalent Si(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.93 Å. There is one shorter (2.50 Å) and one longer (2.63 Å) Ga(1)-Si(1) bond length. Si(1) is bonded in a 1-coordinate geometry to one Ta(2), three equivalent Ta(1), and two equivalent Ga(1) atoms.