data_YNbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.87
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbZn2
_chemical_formula_sum   'Y1 Nb1 Zn2'
_cell_volume   75.08
_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  Y1  1  0.58  0.0  0.7  1.0
  Nb  Nb0  1  0.58  0.43  0.0  1.0
  Zn  Zn2  1  0.0  0.43  0.48  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0

data_YNbZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.87
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbZn2
_chemical_formula_sum   'Y1 Nb1 Zn2'
_cell_volume   75.08
_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  0.58  0.0  0.7  1.0
  Nb  Nb1  1  0.58  0.43  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.15  1.0
  Zn  Zn3  1  0.0  0.43  0.48  1.0

Y Nb Zn Zn
YNbZn2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Nb(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. Both Y(1)-Y(1) bond lengths are 3.15 Å. There is one shorter (2.57 Å) and one longer (3.12 Å) Y(1)-Nb(1) bond length. There are a spread of Y(1)-Zn(1) bond distances ranging from 2.73-3.47 Å. There are a spread of Y(1)-Zn(2) bond distances ranging from 2.54-3.28 Å. Nb(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Nb(1), four equivalent Zn(1), and four equivalent Zn(2) atoms. Both Nb(1)-Nb(1) bond lengths are 3.15 Å. There are a spread of Nb(1)-Zn(1) bond distances ranging from 2.70-3.13 Å. There are a spread of Nb(1)-Zn(2) bond distances ranging from 2.60-3.37 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), four equivalent Nb(1), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.68 Å. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to four equivalent Y(1), four equivalent Nb(1), and one Zn(1) atom.