data_Ta2TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95
_cell_length_b   9.95
_cell_length_c   9.95
_cell_angle_alpha   18.02
_cell_angle_beta   18.02
_cell_angle_gamma   18.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlSn
_chemical_formula_sum   'Ta2 Tl1 Sn1'
_cell_volume   82.25
_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  Ta1  1  0.0  0.0  0.37  1.0
  Ta  Ta2  1  0.0  0.0  0.98  1.0
  Tl  Tl3  1  0.0  0.0  0.67  1.0
  Sn  Sn0  1  0.0  0.0  0.0  1.0

data_Ta2TlSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TlSn
_chemical_formula_sum   'Ta4 Tl2 Sn2'
_cell_volume   164.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.63  1.0
  Ta  Ta1  2  -0.0  0.0  0.02  1.0
  Tl  Tl2  2  -0.0  0.0  0.33  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Ta Ta Tl Sn
Ta2TlSn crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent Ta(1), one Tl(1), and one Sn(1) atom to form distorted TaTa6TlSn hexagonal bipyramids that share corners with six equivalent Ta(1)Ta6TlSn hexagonal bipyramids, edges with six equivalent Tl(1)Ta2Tl6 hexagonal bipyramids, and edges with twelve equivalent Ta(1)Ta6TlSn hexagonal bipyramids. All Ta(1)-Ta(1) bond lengths are 3.12 Å. The Ta(1)-Tl(1) bond length is 3.01 Å. The Ta(1)-Sn(1) bond length is 3.70 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Tl(1) and one Sn(1) atom. The Ta(2)-Tl(1) bond length is 3.01 Å. The Ta(2)-Sn(1) bond length is 0.22 Å. Tl(1) is bonded to one Ta(1), one Ta(2), and six equivalent Tl(1) atoms to form distorted TlTa2Tl6 hexagonal bipyramids that share corners with six equivalent Tl(1)Ta2Tl6 hexagonal bipyramids, edges with six equivalent Ta(1)Ta6TlSn hexagonal bipyramids, and edges with twelve equivalent Tl(1)Ta2Tl6 hexagonal bipyramids. All Tl(1)-Tl(1) bond lengths are 3.12 Å. Sn(1) is bonded in a single-bond geometry to one Ta(1) and one Ta(2) atom.