data_NbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2
_chemical_formula_sum   'Nb2 Zn4'
_cell_volume   97.08
_cell_formula_units_Z   2
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  0.35  0.05  0.71  1.0
  Nb  Nb1  1  0.35  0.95  0.24  1.0
  Zn  Zn2  1  0.35  0.32  0.71  1.0
  Zn  Zn3  1  0.35  0.14  0.24  1.0
  Zn  Zn4  1  0.35  0.86  0.71  1.0
  Zn  Zn5  1  0.35  0.68  0.24  1.0

data_NbZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.7
_cell_length_b   4.95
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbZn2
_chemical_formula_sum   'Nb2 Zn4'
_cell_volume   97.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.26  0.55  1.0
  Zn  Zn1  2  0.14  0.74  0.64  1.0
  Zn  Zn2  2  0.32  0.26  0.82  1.0

Nb Nb Zn Zn Zn Zn
NbZn2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbZn2 clusters. Nb(1) is bonded in a 1-coordinate geometry to one Zn(1) and one Zn(2) atom. The Nb(1)-Zn(1) bond length is 2.01 Å. The Nb(1)-Zn(2) bond length is 1.35 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Nb(1) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Nb(1) atom.