data_TaSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Br
_chemical_formula_sum   'Ta1 Sn2 Br1'
_cell_volume   102.61
_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  0.73  0.73  0.03  1.0
  Sn  Sn1  1  0.73  0.73  0.58  1.0
  Sn  Sn2  1  0.0  0.0  0.5  1.0
  Br  Br0  1  0.0  0.0  0.75  1.0

data_TaSn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSn2Br
_chemical_formula_sum   'Ta2 Sn4 Br2'
_cell_volume   205.23
_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  0.23  0.5  0.03  1.0
  Sn  Sn1  2  0.0  0.0  0.5  1.0
  Sn  Sn2  2  0.23  0.5  0.58  1.0
  Br  Br3  2  0.0  0.0  0.75  1.0

Ta Sn Sn Br
TaSn2Br crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaSn2Br clusters. Ta(1) is bonded in a single-bond geometry to one Br(1) atom. The Ta(1)-Br(1) bond length is 2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Sn(2) and one Br(1) atom. The Sn(1)-Sn(2) bond length is 1.48 Å. The Sn(1)-Br(1) bond length is 1.96 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Sn(1) and one Br(1) atom. The Sn(2)-Br(1) bond length is 2.12 Å. Br(1) is bonded in a 3-coordinate geometry to one Ta(1), one Sn(1), and one Sn(2) atom.