data_YCd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   127.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd4
_chemical_formula_sum   'Y1 Cd4'
_cell_volume   118.08
_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  Y4  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.09  0.4  0.44  1.0
  Cd  Cd1  1  0.38  0.08  0.0  1.0
  Cd  Cd2  1  0.87  0.38  0.0  1.0
  Cd  Cd3  1  0.6  0.09  0.44  1.0

data_YCd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   78.56
_cell_angle_beta   63.56
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd4
_chemical_formula_sum   'Y1 Cd4'
_cell_volume   118.08
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.08  -0.0  0.3  1.0
  Cd  Cd2  1  0.38  -0.0  0.49  1.0
  Cd  Cd3  1  0.65  0.44  0.51  1.0
  Cd  Cd4  1  0.95  0.44  0.7  1.0

Y Cd Cd Cd Cd
Y Cd Cd Cd Cd 0 2 o o o 0 1 o o o 0 3 - o o 1 3 - o o 1 4 - o o 2 3 o o o 2 4 o o o 3 4 o o - 
YCd4 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), and two equivalent Cd(3) atoms. The Y(1)-Cd(1) bond length is 2.64 Å. The Y(1)-Cd(2) bond length is 1.87 Å. There is one shorter (2.58 Å) and one longer (3.02 Å) Y(1)-Cd(3) bond length. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Y(1), one Cd(3), and one Cd(4) atom. The Cd(1)-Cd(3) bond length is 2.46 Å. The Cd(1)-Cd(4) bond length is 2.14 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Y(1), one Cd(3), and one Cd(4) atom. The Cd(2)-Cd(3) bond length is 2.14 Å. The Cd(2)-Cd(4) bond length is 2.46 Å. In the third Cd site, Cd(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cd(1), one Cd(2), and one Cd(4) atom. The Cd(3)-Cd(4) bond length is 2.73 Å. In the fourth Cd site, Cd(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one Cd(3) atom.