data_Zr2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.6
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnBr
_chemical_formula_sum   'Zr2 Sn1 Br1'
_cell_volume   87.4
_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  0.66  0.8  0.43  1.0
  Zr  Zr3  1  0.66  0.8  0.87  1.0
  Sn  Sn1  1  0.0  0.0  0.65  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Zr2SnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.6
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnBr
_chemical_formula_sum   'Zr2 Sn1 Br1'
_cell_volume   87.4
_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  Zr0  1  0.66  0.8  0.43  1.0
  Zr  Zr1  1  0.66  0.8  0.87  1.0
  Sn  Sn2  1  0.0  0.0  0.65  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Zr Zr Sn Br
Zr2SnBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2SnBr cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Zr(1)-Sn(1) bond length is 2.08 Å. In the second Zr site, Zr(2) is bonded in a 1-coordinate geometry to one Sn(1) and one Br(1) atom. The Zr(2)-Sn(1) bond length is 2.08 Å. The Zr(2)-Br(1) bond length is 1.64 Å. Sn(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(2) atom. Br(1) is bonded in a distorted single-bond geometry to one Zr(2) atom.