data_NaSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSb2Br
_chemical_formula_sum   'Na1 Sb2 Br1'
_cell_volume   129.96
_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
  Na  Na1  1  0.0  0.0  0.88  1.0
  Sb  Sb2  1  0.92  0.92  0.38  1.0
  Sb  Sb3  1  0.0  0.0  0.81  1.0
  Br  Br0  1  0.92  0.92  0.13  1.0

data_NaSb2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSb2Br
_chemical_formula_sum   'Na2 Sb4 Br2'
_cell_volume   259.91
_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
  Na  Na0  2  0.0  0.0  0.88  1.0
  Sb  Sb1  2  0.0  0.0  0.81  1.0
  Sb  Sb2  2  0.42  0.5  0.38  1.0
  Br  Br3  2  0.42  0.5  0.13  1.0

Na Sb Sb Br
NaSb2Br is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaSb2Br clusters. Na(1) is bonded in a distorted linear geometry to one Sb(2) and one Br(1) atom. The Na(1)-Sb(2) bond length is 0.69 Å. The Na(1)-Br(1) bond length is 2.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Br(1) atom. The Sb(1)-Br(1) bond length is 2.17 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Na(1) atom. Br(1) is bonded in a linear geometry to one Na(1) and one Sb(1) atom.