data_Zn2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.61
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdBr
_chemical_formula_sum   'Zn2 Cd1 Br1'
_cell_volume   88.67
_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  Zn2  1  0.79  0.8  0.18  1.0
  Zn  Zn3  1  0.76  0.8  0.98  1.0
  Cd  Cd1  1  0.27  0.0  0.58  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Zn2CdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.61
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdBr
_chemical_formula_sum   'Zn2 Cd1 Br1'
_cell_volume   88.67
_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  Zn0  1  0.76  0.8  0.98  1.0
  Zn  Zn1  1  0.79  0.8  0.18  1.0
  Cd  Cd2  1  0.27  0.0  0.58  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Zn Zn Cd Br
CdZn2Br crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 7-coordinate geometry to four equivalent Cd(1), one Zn(1), one Zn(2), and one Br(1) atom. There are two shorter (3.43 Å) and two longer (3.61 Å) Cd(1)-Cd(1) bond lengths. The Cd(1)-Zn(1) bond length is 3.20 Å. The Cd(1)-Zn(2) bond length is 3.20 Å. The Cd(1)-Br(1) bond length is 3.28 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Cd(1), one Zn(2), and one Br(1) atom. The Zn(1)-Zn(2) bond length is 1.50 Å. The Zn(1)-Br(1) bond length is 1.74 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Cd(1), one Zn(1), and one Br(1) atom. The Zn(2)-Br(1) bond length is 1.10 Å. Br(1) is bonded in a distorted single-bond geometry to one Cd(1), one Zn(1), and one Zn(2) atom.