data_Sn2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   156.21
_cell_angle_beta   145.25
_cell_angle_gamma   42.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2WBr
_chemical_formula_sum   'Sn2 W1 Br1'
_cell_volume   104.59
_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
  Sn  Sn1  1  0.59  0.0  0.24  1.0
  Sn  Sn2  1  0.0  0.0  0.56  1.0
  W  W3  1  0.59  0.0  0.87  1.0
  Br  Br0  1  0.0  0.0  0.84  1.0

data_Sn2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.6
_cell_length_c   7.7
_cell_angle_alpha   107.38
_cell_angle_beta   101.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2WBr
_chemical_formula_sum   'Sn2 W1 Br1'
_cell_volume   104.59
_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
  Sn  Sn0  1  0.35  0.76  0.35  1.0
  Sn  Sn1  1  0.44  0.44  0.44  1.0
  W  W2  1  0.71  0.13  0.71  1.0
  Br  Br3  1  0.16  0.16  0.16  1.0

Sn Sn W Br
WSn2Br crystallizes in the triclinic P1 space group. W(1) is bonded in a 6-coordinate geometry to two equivalent W(1), one Sn(1), two equivalent Sn(2), and one Br(1) atom. Both W(1)-W(1) bond lengths are 3.17 Å. The W(1)-Sn(1) bond length is 2.81 Å. There is one shorter (2.88 Å) and one longer (3.23 Å) W(1)-Sn(2) bond length. The W(1)-Br(1) bond length is 3.38 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to one W(1), one Sn(2), and two equivalent Br(1) atoms. The Sn(1)-Sn(2) bond length is 1.82 Å. There is one shorter (2.66 Å) and one longer (2.73 Å) Sn(1)-Br(1) bond length. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to two equivalent W(1), one Sn(1), and one Br(1) atom. The Sn(2)-Br(1) bond length is 2.17 Å. Br(1) is bonded in a 4-coordinate geometry to one W(1), one Sn(2), and two equivalent Sn(1) atoms.