data_YNb2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.01
_cell_angle_alpha   104.97
_cell_angle_beta   104.97
_cell_angle_gamma   31.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Zn
_chemical_formula_sum   'Y1 Nb2 Zn1'
_cell_volume   79.83
_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
  Y  Y2  1  0.72  0.0  0.41  1.0
  Nb  Nb0  1  0.87  0.0  0.75  1.0
  Nb  Nb1  1  0.57  0.0  0.08  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_YNb2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.01
_cell_length_c   5.61
_cell_angle_alpha   104.97
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Zn
_chemical_formula_sum   'Y1 Nb2 Zn1'
_cell_volume   79.83
_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
  Y  Y0  1  0.0  0.41  0.72  1.0
  Nb  Nb1  1  0.0  0.08  0.57  1.0
  Nb  Nb2  1  0.0  0.75  0.87  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Y Nb Nb Zn
Y Nb Nb Zn 0 2 o o o 0 1 o o o 1 3 + o + 
YNb2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YNb2Zn cluster. Y(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. The Y(1)-Nb(1) bond length is 1.67 Å. The Y(1)-Nb(2) bond length is 1.67 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a linear geometry to one Y(1) and one Zn(1) atom. The Nb(1)-Zn(1) bond length is 1.29 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Y(1) atom. Zn(1) is bonded in a single-bond geometry to one Nb(1) atom.