data_Ta2NbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbSn
_chemical_formula_sum   'Ta2 Nb1 Sn1'
_cell_volume   77.17
_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  0.72  0.0  0.89  1.0
  Ta  Ta3  1  0.72  0.0  0.19  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.54  1.0

data_Ta2NbSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbSn
_chemical_formula_sum   'Ta2 Nb1 Sn1'
_cell_volume   77.17
_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  0.72  0.0  0.19  1.0
  Ta  Ta1  1  0.72  0.0  0.89  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.54  1.0

Ta Ta Nb Sn
Ta Ta Nb Sn 0 2 + o + 0 3 + o o 1 2 + o o 1 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
Ta2NbSn 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 Nb(1) and one Sn(1) atom. The Ta(1)-Nb(1) bond length is 1.33 Å. The Ta(1)-Sn(1) bond length is 3.26 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Nb(1) and one Sn(1) atom. The Ta(2)-Nb(1) bond length is 1.93 Å. The Ta(2)-Sn(1) bond length is 3.26 Å. Nb(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Ta(2) atom. Sn(1) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(2), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.01 Å.