data_Tl2FeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeSn
_chemical_formula_sum   'Tl2 Fe1 Sn1'
_cell_volume   95.5
_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
  Tl  Tl2  1  0.61  0.61  0.33  1.0
  Tl  Tl3  1  0.61  0.61  0.9  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.61  1.0

data_Tl2FeSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2FeSn
_chemical_formula_sum   'Tl4 Fe2 Sn2'
_cell_volume   191.0
_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
  Tl  Tl0  2  0.11  0.5  0.33  1.0
  Tl  Tl1  2  0.11  0.5  0.9  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Sn  Sn3  2  0.0  0.0  0.61  1.0

Tl Tl Fe Sn
FeTl2Sn crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 1-coordinate geometry to one Tl(1) and one Tl(2) atom. The Fe(1)-Tl(1) bond length is 3.54 Å. The Fe(1)-Tl(2) bond length is 2.02 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to one Fe(1), four equivalent Tl(1), and three equivalent Sn(1) atoms. All Tl(1)-Tl(1) bond lengths are 3.22 Å. There is one shorter (3.15 Å) and two longer (3.49 Å) Tl(1)-Sn(1) bond lengths. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one Fe(1) and three equivalent Sn(1) atoms. There is one shorter (3.15 Å) and two longer (3.49 Å) Tl(2)-Sn(1) bond lengths. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Tl(1), three equivalent Tl(2), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.22 Å.