data_Ge2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.64
_cell_angle_alpha   102.34
_cell_angle_beta   102.34
_cell_angle_gamma   50.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SeBr
_chemical_formula_sum   'Ge2 Se1 Br1'
_cell_volume   95.95
_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
  Ge  Ge1  1  0.55  0.0  0.41  1.0
  Ge  Ge2  1  0.82  0.0  0.05  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.19  0.0  0.23  1.0

data_Ge2SeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.39
_cell_length_c   6.64
_cell_angle_alpha   102.34
_cell_angle_beta   90.0
_cell_angle_gamma   115.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SeBr
_chemical_formula_sum   'Ge2 Se1 Br1'
_cell_volume   95.95
_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
  Ge  Ge0  1  0.0  0.18  0.95  1.0
  Ge  Ge1  1  0.0  0.45  0.59  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.81  0.77  1.0

Ge Ge Se Br
Ge Ge Se Br 0 3 o o o 1 2 + o o 1 3 + o o 2 3 o o o 
Ge2SeBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ge2SeBr cluster. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Br(1) atom. The Ge(1)-Br(1) bond length is 1.78 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Se(1) and one Br(1) atom. The Ge(2)-Se(1) bond length is 0.90 Å. The Ge(2)-Br(1) bond length is 1.78 Å. Se(1) is bonded in an L-shaped geometry to one Ge(2) and one Br(1) atom. The Se(1)-Br(1) bond length is 1.56 Å. Br(1) is bonded in a 3-coordinate geometry to one Ge(1), one Ge(2), and one Se(1) atom.