data_ZrSnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   157.26
_cell_angle_beta   157.26
_cell_angle_gamma   32.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnBr
_chemical_formula_sum   'Zr1 Sn1 Br1'
_cell_volume   83.68
_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
  Zr  Zr2  1  0.0  0.0  0.37  1.0
  Sn  Sn1  1  0.0  0.0  0.72  1.0
  Br  Br0  1  0.0  0.0  0.74  1.0

data_ZrSnBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSnBr
_chemical_formula_sum   'Zr2 Sn2 Br2'
_cell_volume   167.36
_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
  Zr  Zr0  2  0.0  0.0  0.63  1.0
  Sn  Sn1  2  0.0  0.0  0.28  1.0
  Br  Br2  2  0.0  0.0  0.26  1.0

Zr Sn Br
Zr Sn Br 0 0 + o + 0 0 o + + 0 2 o o o 0 1 o o o 1 2 o o o 
ZrSnBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrSnBr clusters. Zr(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Zr(1)-Sn(1) bond length is 2.94 Å. Sn(1) is bonded in a single-bond geometry to one Zr(1) and one Br(1) atom. The Sn(1)-Br(1) bond length is 0.15 Å. Br(1) is bonded in a single-bond geometry to one Sn(1) atom.