data_YNbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   122.66
_cell_angle_beta   122.66
_cell_angle_gamma   85.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbZn2
_chemical_formula_sum   'Y1 Nb1 Zn2'
_cell_volume   76.0
_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  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.55  1.0
  Zn  Zn2  1  0.32  0.0  0.77  1.0
  Zn  Zn3  1  0.0  0.32  0.77  1.0

data_YNbZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   132.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YNbZn2
_chemical_formula_sum   'Y2 Nb2 Zn4'
_cell_volume   152.0
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.55  1.0
  Zn  Zn2  4  0.34  0.34  0.46  1.0

Y Nb Zn Zn
Y Nb Zn Zn 0 3 o o - 0 2 o o - 0 1 o o - 0 1 o o o 1 3 o o o 1 2 o o o 
YNbZn2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Zn(1) atoms. There is one shorter (2.20 Å) and one longer (2.63 Å) Y(1)-Nb(1) bond length. There are two shorter (2.31 Å) and two longer (2.87 Å) Y(1)-Zn(1) bond lengths. Nb(1) is bonded in a distorted water-like geometry to two equivalent Y(1) and two equivalent Zn(1) atoms. Both Nb(1)-Zn(1) bond lengths are 1.31 Å. Zn(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one Nb(1) atom.