data_GeSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   5.24
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2Cl
_chemical_formula_sum   'Ge1 Se2 Cl1'
_cell_volume   95.78
_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  0.39  0.0  0.2  1.0
  Se  Se2  1  0.3  0.62  0.16  1.0
  Se  Se3  1  0.48  0.62  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_GeSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.61
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2Cl
_chemical_formula_sum   'Ge1 Se2 Cl1'
_cell_volume   95.78
_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  0.61  0.8  0.0  1.0
  Se  Se1  1  0.52  0.76  0.38  1.0
  Se  Se2  1  0.7  0.84  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ge Se Se Cl
Ge Se Se Cl 0 3 o o o 1 2 o o o 
GeSe2Cl is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one GeSe2Cl cluster. Ge(1) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), and one Cl(1) atom. The Ge(1)-Se(1) bond length is 2.03 Å. The Ge(1)-Se(2) bond length is 2.03 Å. The Ge(1)-Cl(1) bond length is 1.62 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Ge(1), one Se(2), and one Cl(1) atom. The Se(1)-Se(2) bond length is 0.71 Å. The Se(1)-Cl(1) bond length is 2.36 Å. In the second Se site, Se(2) is bonded in a distorted L-shaped geometry to one Ge(1) and one Se(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Ge(1) and one Se(1) atom.