data_YZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Cd
_chemical_formula_sum   'Y1 Zn2 Cd1'
_cell_volume   82.0
_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
  Zn  Zn2  1  0.69  0.69  0.93  1.0
  Zn  Zn3  1  0.69  0.69  0.24  1.0
  Cd  Cd0  1  0.0  0.0  0.59  1.0

data_YZn2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZn2Cd
_chemical_formula_sum   'Y2 Zn4 Cd2'
_cell_volume   164.01
_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
  Zn  Zn1  2  0.19  0.5  0.24  1.0
  Zn  Zn2  2  0.19  0.5  0.93  1.0
  Cd  Cd3  2  0.0  0.0  0.59  1.0

Y Zn Zn Cd
YCdZn2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in a distorted single-bond geometry to one Cd(1), one Zn(1), and one Zn(2) atom. The Y(1)-Cd(1) bond length is 2.97 Å. The Y(1)-Zn(1) bond length is 1.56 Å. The Y(1)-Zn(2) bond length is 2.26 Å. Cd(1) is bonded in a 7-coordinate geometry to one Y(1), four equivalent Cd(1), one Zn(1), and one Zn(2) atom. All Cd(1)-Cd(1) bond lengths are 3.38 Å. The Cd(1)-Zn(1) bond length is 2.89 Å. The Cd(1)-Zn(2) bond length is 2.89 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Y(1) and one Cd(1) atom. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Y(1) and one Cd(1) atom.