data_YCd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd5
_chemical_formula_sum   'Y1 Cd5'
_cell_volume   140.4
_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  Y5  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.28  0.66  0.36  1.0
  Cd  Cd1  1  0.28  0.73  0.0  1.0
  Cd  Cd2  1  0.28  0.0  0.36  1.0
  Cd  Cd3  1  0.28  0.27  0.0  1.0
  Cd  Cd4  1  0.28  0.34  0.36  1.0

data_YCd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.73
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd5
_chemical_formula_sum   'Y1 Cd5'
_cell_volume   140.4
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.64  0.72  1.0
  Cd  Cd2  1  0.27  -0.0  0.99  1.0
  Cd  Cd3  1  0.34  0.64  0.06  1.0
  Cd  Cd4  1  0.66  0.64  0.37  1.0
  Cd  Cd5  1  0.73  0.0  0.44  1.0

Y Cd Cd Cd Cd Cd
Y Cd Cd Cd Cd Cd 0 4 o o o 0 3 o o o 1 2 o o o 1 5 o o o 1 3 o + o 2 3 o + o 3 4 o o o 3 5 o o o 4 5 o o o 
YCd5 crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to one Cd(4), two equivalent Cd(3), and three equivalent Cd(5) atoms. The Y(1)-Cd(4) bond length is 1.28 Å. There is one shorter (2.61 Å) and one longer (3.59 Å) Y(1)-Cd(3) bond length. There are a spread of Y(1)-Cd(5) bond distances ranging from 2.27-3.59 Å. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one Cd(3), one Cd(5), and two equivalent Cd(2) atoms. The Cd(1)-Cd(3) bond length is 2.37 Å. The Cd(1)-Cd(5) bond length is 2.16 Å. There is one shorter (1.78 Å) and one longer (3.05 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cd(3) and two equivalent Cd(1) atoms. The Cd(2)-Cd(3) bond length is 2.54 Å. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to two equivalent Y(1), one Cd(1), one Cd(2), one Cd(4), and one Cd(5) atom. The Cd(3)-Cd(4) bond length is 2.54 Å. The Cd(3)-Cd(5) bond length is 2.37 Å. In the fourth Cd site, Cd(4) is bonded in a single-bond geometry to one Y(1), one Cd(3), and two equivalent Cd(5) atoms. There is one shorter (1.78 Å) and one longer (3.05 Å) Cd(4)-Cd(5) bond length. In the fifth Cd site, Cd(5) is bonded in a 7-coordinate geometry to three equivalent Y(1), one Cd(1), one Cd(3), and two equivalent Cd(4) atoms.