data_Zn2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.97
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeBr
_chemical_formula_sum   'Zn2 Ge1 Br1'
_cell_volume   86.94
_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  0.11  0.49  0.51  1.0
  Zn  Zn3  1  0.48  0.0  0.79  1.0
  Ge  Ge1  1  0.48  0.0  0.25  1.0
  Br  Br0  1  0.72  0.49  0.85  1.0

data_Zn2GeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.96
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeBr
_chemical_formula_sum   'Zn2 Ge1 Br1'
_cell_volume   86.94
_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  0.52  0.21  0.0  1.0
  Zn  Zn1  1  0.89  0.49  0.51  1.0
  Ge  Ge2  1  0.52  0.75  0.0  1.0
  Br  Br3  1  0.28  0.15  0.51  1.0

Zn Zn Ge Br
Zn2GeBr crystallizes in the triclinic P1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 1-coordinate geometry to two equivalent Br(1) atoms. There is one shorter (2.18 Å) and one longer (2.75 Å) Zn(1)-Br(1) bond length. In the second Zn site, Zn(2) is bonded in a distorted see-saw-like geometry to two equivalent Ge(1) and two equivalent Br(1) atoms. There is one shorter (2.28 Å) and one longer (2.68 Å) Zn(2)-Ge(1) bond length. There is one shorter (2.59 Å) and one longer (2.71 Å) Zn(2)-Br(1) bond length. Ge(1) is bonded in a 2-coordinate geometry to two equivalent Zn(2) atoms. Br(1) is bonded in a 4-coordinate geometry to two equivalent Zn(1) and two equivalent Zn(2) atoms.