data_Zn2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   148.69
_cell_angle_beta   133.87
_cell_angle_gamma   56.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeBr
_chemical_formula_sum   'Zn2 Ge1 Br1'
_cell_volume   86.11
_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  0.0  0.41  0.02  1.0
  Zn  Zn3  1  0.66  0.0  0.38  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.4  1.0

data_Zn2GeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.81
_cell_length_c   6.14
_cell_angle_alpha   113.07
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeBr
_chemical_formula_sum   'Zn2 Ge1 Br1'
_cell_volume   86.11
_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  0.0  0.38  0.73  1.0
  Zn  Zn1  1  0.59  0.61  0.61  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.4  0.4  1.0

Zn Zn Ge Br
Zn Zn Ge Br 0 1 - o - 0 3 o + o 0 3 o o - 0 2 o o o 1 3 + o o 1 2 + o + 1 2 o o o 2 3 o o o 
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 4-coordinate geometry to one Zn(2), one Ge(1), and two equivalent Br(1) atoms. The Zn(1)-Zn(2) bond length is 1.90 Å. The Zn(1)-Ge(1) bond length is 2.40 Å. There is one shorter (2.04 Å) and one longer (2.10 Å) Zn(1)-Br(1) bond length. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Zn(1), two equivalent Ge(1), and one Br(1) atom. There is one shorter (2.77 Å) and one longer (2.94 Å) Zn(2)-Ge(1) bond length. The Zn(2)-Br(1) bond length is 2.04 Å. Ge(1) is bonded in a 4-coordinate geometry to one Zn(1), two equivalent Zn(2), and one Br(1) atom. The Ge(1)-Br(1) bond length is 2.46 Å. Br(1) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one Ge(1) atom.