data_TaSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.9
_cell_angle_alpha   99.07
_cell_angle_beta   99.07
_cell_angle_gamma   33.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Bi
_chemical_formula_sum   'Ta1 Sn2 Bi1'
_cell_volume   98.86
_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  Ta3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.5  0.0  0.25  1.0
  Sn  Sn2  1  0.07  0.0  0.57  1.0
  Bi  Bi0  1  0.79  0.0  0.91  1.0

data_TaSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.51
_cell_length_c   5.9
_cell_angle_alpha   99.07
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Bi
_chemical_formula_sum   'Ta1 Sn2 Bi1'
_cell_volume   98.86
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.5  0.75  1.0
  Sn  Sn2  1  0.0  0.93  0.43  1.0
  Bi  Bi3  1  0.0  0.21  0.09  1.0

Ta Sn Sn Bi
TaSn2Bi crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one Sn(1), two equivalent Sn(2), and one Bi(1) atom. The Ta(1)-Sn(1) bond length is 2.93 Å. There is one shorter (2.63 Å) and one longer (3.32 Å) Ta(1)-Sn(2) bond length. The Ta(1)-Bi(1) bond length is 1.21 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to one Ta(1), two equivalent Sn(2), and one Bi(1) atom. There is one shorter (3.28 Å) and one longer (3.38 Å) Sn(1)-Sn(2) bond length. The Sn(1)-Bi(1) bond length is 2.72 Å. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Ta(1), two equivalent Sn(1), two equivalent Sn(2), and one Bi(1) atom. Both Sn(2)-Sn(2) bond lengths are 3.22 Å. The Sn(2)-Bi(1) bond length is 2.72 Å. Bi(1) is bonded in a single-bond geometry to one Ta(1), one Sn(1), and one Sn(2) atom.