data_Zr2ZnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.72
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnBr
_chemical_formula_sum   'Zr2 Zn1 Br1'
_cell_volume   90.0
_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  0.74  0.86  0.86  1.0
  Zr  Zr3  1  0.0  0.0  0.78  1.0
  Zn  Zn1  1  0.0  0.0  0.65  1.0
  Br  Br0  1  0.74  0.86  0.08  1.0

data_Zr2ZnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.72
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnBr
_chemical_formula_sum   'Zr2 Zn1 Br1'
_cell_volume   90.0
_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  0.0  0.0  0.78  1.0
  Zr  Zr1  1  0.74  0.86  0.86  1.0
  Zn  Zn2  1  0.0  0.0  0.65  1.0
  Br  Br3  1  0.74  0.86  0.08  1.0

Zr Zr Zn Br
Zr2ZnBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2ZnBr cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 120 degrees geometry to one Zr(2) and one Br(1) atom. The Zr(1)-Zr(2) bond length is 1.15 Å. The Zr(1)-Br(1) bond length is 1.58 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Zn(1) atom. The Zr(2)-Zn(1) bond length is 0.93 Å. Zn(1) is bonded in a single-bond geometry to one Zr(2) atom. Br(1) is bonded in a single-bond geometry to one Zr(1) atom.