data_Ta2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Sn
_chemical_formula_sum   'Ta8 Sn4'
_cell_volume   248.32
_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  0.0  0.0  0.56  1.0
  Ta  Ta5  1  0.0  0.0  0.0  1.0
  Ta  Ta6  1  0.4  0.05  0.84  1.0
  Ta  Ta7  1  0.4  0.81  0.28  1.0
  Ta  Ta8  1  0.6  0.05  0.84  1.0
  Ta  Ta9  1  0.0  0.61  0.84  1.0
  Ta  Ta10  1  0.8  0.24  0.28  1.0
  Ta  Ta11  1  0.21  0.81  0.28  1.0
  Sn  Sn0  1  0.8  0.62  0.13  1.0
  Sn  Sn1  1  0.0  0.24  0.56  1.0
  Sn  Sn2  1  0.0  0.24  1.0  1.0
  Sn  Sn3  1  0.8  0.62  0.56  1.0

data_Ta2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Sn
_chemical_formula_sum   'Ta8 Sn4'
_cell_volume   248.32
_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  Ta0  1  -0.0  0.61  0.84  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.56  1.0
  Ta  Ta3  1  0.21  0.81  0.28  1.0
  Ta  Ta4  1  0.4  0.81  0.28  1.0
  Ta  Ta5  1  0.4  0.05  0.84  1.0
  Ta  Ta6  1  0.6  0.05  0.84  1.0
  Ta  Ta7  1  0.8  0.24  0.28  1.0
  Sn  Sn8  1  -0.0  0.24  0.56  1.0
  Sn  Sn9  1  -0.0  0.24  1.0  1.0
  Sn  Sn10  1  0.8  0.62  0.13  1.0
  Sn  Sn11  1  0.8  0.62  0.56  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Sn Sn Sn Sn
Ta Ta Ta Ta Ta Ta Ta Ta Sn Sn Sn Sn 0 9 o o o 0 11 - - o 1 10 o o - 1 5 o - - 1 8 - - o 2 4 o o o 2 5 o - o 3 7 o o o 3 6 o + o 4 5 + o o 4 5 o - o 5 11 - o o 5 8 - o + 5 10 o o o 6 7 o - o 6 7 + o o 6 8 o o o 6 10 + o - 6 9 + o o 7 8 - o o 
Ta2Sn crystallizes in the triclinic P1 space group. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a bent 150 degrees geometry to one Sn(2) and one Sn(4) atom. The Ta(1)-Sn(2) bond length is 1.33 Å. The Ta(1)-Sn(4) bond length is 1.85 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one Ta(6), one Sn(1), and one Sn(3) atom. The Ta(2)-Ta(6) bond length is 2.60 Å. The Ta(2)-Sn(1) bond length is 2.18 Å. The Ta(2)-Sn(3) bond length is 1.33 Å. In the third Ta site, Ta(3) is bonded in a distorted single-bond geometry to one Ta(5) and one Ta(6) atom. The Ta(3)-Ta(5) bond length is 1.07 Å. The Ta(3)-Ta(6) bond length is 2.35 Å. In the fourth Ta site, Ta(4) is bonded in a distorted single-bond geometry to one Ta(7), one Ta(8), and one Sn(1) atom. The Ta(4)-Ta(7) bond length is 2.35 Å. The Ta(4)-Ta(8) bond length is 1.07 Å. The Ta(4)-Sn(1) bond length is 3.27 Å. In the fifth Ta site, Ta(5) is bonded in a 2-coordinate geometry to one Ta(3), one Ta(6), and one Sn(3) atom. The Ta(5)-Ta(6) bond length is 2.83 Å. The Ta(5)-Sn(3) bond length is 2.42 Å. In the sixth Ta site, Ta(6) is bonded in a 7-coordinate geometry to one Ta(2), one Ta(3), one Ta(5), one Sn(1), one Sn(2), one Sn(3), and one Sn(4) atom. The Ta(6)-Sn(1) bond length is 2.82 Å. The Ta(6)-Sn(2) bond length is 3.30 Å. The Ta(6)-Sn(3) bond length is 2.55 Å. The Ta(6)-Sn(4) bond length is 2.82 Å. In the seventh Ta site, Ta(7) is bonded in a 6-coordinate geometry to one Ta(4), one Ta(8), one Sn(1), one Sn(2), one Sn(3), and one Sn(4) atom. The Ta(7)-Ta(8) bond length is 2.83 Å. The Ta(7)-Sn(1) bond length is 2.55 Å. The Ta(7)-Sn(2) bond length is 2.82 Å. The Ta(7)-Sn(3) bond length is 2.82 Å. The Ta(7)-Sn(4) bond length is 3.30 Å. In the eighth Ta site, Ta(8) is bonded in a 2-coordinate geometry to one Ta(4), one Ta(7), and one Sn(1) atom. The Ta(8)-Sn(1) bond length is 2.42 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Ta(2), one Ta(4), one Ta(6), one Ta(7), and one Ta(8) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(6), and one Ta(7) atom. In the third Sn site, Sn(3) is bonded in a distorted single-bond geometry to one Ta(2), one Ta(5), one Ta(6), and one Ta(7) atom. In the fourth Sn site, Sn(4) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(6), and one Ta(7) atom.