data_ZnBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   13.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBr5
_chemical_formula_sum   'Zn1 Br5'
_cell_volume   161.3
_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
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.73  0.73  0.86  1.0
  Br  Br1  1  0.73  0.73  0.61  1.0
  Br  Br2  1  0.0  0.0  0.69  1.0
  Br  Br3  1  0.0  0.0  0.78  1.0
  Br  Br4  1  0.73  0.73  0.74  1.0

data_ZnBr5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   13.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBr5
_chemical_formula_sum   'Zn2 Br10'
_cell_volume   322.61
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Br  Br1  2  0.0  0.0  0.69  1.0
  Br  Br2  2  0.0  0.0  0.78  1.0
  Br  Br3  2  0.23  0.5  0.61  1.0
  Br  Br4  2  0.23  0.5  0.74  1.0
  Br  Br5  2  0.23  0.5  0.86  1.0

Zn Br Br Br Br Br
Zn Br Br Br Br Br 0 1 - - - 1 4 + + o 1 5 o o o 2 3 + + o 2 5 o o o 3 5 - - o 3 4 o o o 4 5 - - o 
ZnBr5 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZnBr5 clusters. Zn(1) is bonded in a single-bond geometry to one Br(1) atom. The Zn(1)-Br(1) bond length is 2.32 Å. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Zn(1), one Br(4), and one Br(5) atom. The Br(1)-Br(4) bond length is 1.66 Å. The Br(1)-Br(5) bond length is 1.66 Å. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Br(3) and one Br(5) atom. The Br(2)-Br(3) bond length is 1.66 Å. The Br(2)-Br(5) bond length is 1.66 Å. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Br(2), one Br(4), and one Br(5) atom. The Br(3)-Br(4) bond length is 1.31 Å. The Br(3)-Br(5) bond length is 1.47 Å. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Br(1), one Br(3), and one Br(5) atom. The Br(4)-Br(5) bond length is 1.47 Å. In the fifth Br site, Br(5) is bonded in a 4-coordinate geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom.