data_Nb2ZnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnSi
_chemical_formula_sum   'Nb2 Zn1 Si1'
_cell_volume   63.79
_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  0.0  0.0  0.32  1.0
  Nb  Nb1  1  0.0  0.92  0.16  1.0
  Zn  Zn3  1  0.92  0.0  0.16  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_Nb2ZnSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.1
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnSi
_chemical_formula_sum   'Nb2 Zn1 Si1'
_cell_volume   63.79
_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  0.68  0.0  0.68  1.0
  Nb  Nb1  1  0.76  0.92  0.76  1.0
  Zn  Zn2  1  0.84  0.0  0.76  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Nb Nb Zn Si
Nb2ZnSi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2ZnSi cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Zn(1) atom. The Nb(1)-Nb(2) bond length is 0.60 Å. The Nb(1)-Zn(1) bond length is 0.60 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Nb(1), one Zn(1), and one Si(1) atom. The Nb(2)-Zn(1) bond length is 0.43 Å. The Nb(2)-Si(1) bond length is 1.14 Å. Zn(1) is bonded in a distorted single-bond geometry to one Nb(1), one Nb(2), and one Si(1) atom. The Zn(1)-Si(1) bond length is 1.14 Å. Si(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Zn(1) atom.