data_Nb2GeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.89
_cell_angle_alpha   104.03
_cell_angle_beta   104.03
_cell_angle_gamma   104.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeCl
_chemical_formula_sum   'Nb2 Ge1 Cl1'
_cell_volume   70.29
_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
  Nb  Nb2  1  0.03  0.94  0.33  1.0
  Nb  Nb3  1  0.03  0.06  0.33  1.0
  Ge  Ge1  1  0.2  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2GeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   104.39
_cell_angle_beta   104.03
_cell_angle_gamma   104.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GeCl
_chemical_formula_sum   'Nb2 Ge1 Cl1'
_cell_volume   70.29
_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
  Nb  Nb0  1  0.33  0.03  0.94  1.0
  Nb  Nb1  1  0.33  0.03  0.06  1.0
  Ge  Ge2  1  -0.0  0.2  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb Ge Cl
Nb Nb Ge Cl 0 1 o + o 0 3 o + o 1 3 o o o 2 3 o o o 
Nb2GeCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2GeCl cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 1-coordinate geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 0.67 Å. In the second Nb site, Nb(2) is bonded in an L-shaped geometry to one Nb(1) and one Cl(1) atom. The Nb(2)-Cl(1) bond length is 0.89 Å. Ge(1) is bonded in a single-bond geometry to one Cl(1) atom. The Ge(1)-Cl(1) bond length is 1.06 Å. Cl(1) is bonded in a distorted water-like geometry to one Nb(2) and one Ge(1) atom.