data_SiSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   5.23
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Br
_chemical_formula_sum   'Si1 Sb2 Br1'
_cell_volume   99.75
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.72  0.61  0.0  1.0
  Sb  Sb2  1  0.0  0.61  0.78  1.0
  Br  Br0  1  0.72  0.0  0.78  1.0

data_SiSb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.23
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Br
_chemical_formula_sum   'Si1 Sb2 Br1'
_cell_volume   99.75
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.61  0.78  1.0
  Sb  Sb2  1  0.72  0.61  0.0  1.0
  Br  Br3  1  0.72  0.0  0.78  1.0

Si Sb Sb Br
SiSb2Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SiSb2Br cluster. Si(1) is bonded in a distorted single-bond geometry to one Sb(1) and one Br(1) atom. The Si(1)-Sb(1) bond length is 2.24 Å. The Si(1)-Br(1) bond length is 1.58 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Si(1), one Sb(2), and one Br(1) atom. The Sb(1)-Sb(2) bond length is 1.58 Å. The Sb(1)-Br(1) bond length is 2.37 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Sb(1) and one Br(1) atom. The Sb(2)-Br(1) bond length is 2.24 Å. Br(1) is bonded in a distorted single-bond geometry to one Si(1), one Sb(1), and one Sb(2) atom.