data_NbZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Fe
_chemical_formula_sum   'Nb1 Zn2 Fe1'
_cell_volume   57.74
_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  Nb1  1  0.52  0.52  0.47  1.0
  Zn  Zn2  1  0.0  0.0  0.1  1.0
  Zn  Zn3  1  0.52  0.52  0.63  1.0
  Fe  Fe0  1  0.0  0.0  0.15  1.0

data_NbZn2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZn2Fe
_chemical_formula_sum   'Nb2 Zn4 Fe2'
_cell_volume   115.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.02  0.5  0.47  1.0
  Zn  Zn1  2  0.0  0.0  0.1  1.0
  Zn  Zn2  2  0.02  0.5  0.63  1.0
  Fe  Fe3  2  0.0  0.0  0.15  1.0

Nb Zn Zn Fe
NbZnZnFe is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two 87933-46-8 molecules and two NbZn clusters. In each NbZn cluster, Nb(1) is bonded in a single-bond geometry to one Zn(2) atom. The Nb(1)-Zn(2) bond length is 1.00 Å. Zn(2) is bonded in a single-bond geometry to one Nb(1) atom.