data_YNbCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbCd2
_chemical_formula_sum   'Y1 Nb1 Cd2'
_cell_volume   92.67
_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  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.39  0.39  0.39  1.0
  Cd  Cd0  1  0.8  0.8  0.8  1.0
  Cd  Cd1  1  0.59  0.59  0.59  1.0

data_YNbCd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YNbCd2
_chemical_formula_sum   'Y3 Nb3 Cd6'
_cell_volume   278.01
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.61  1.0
  Cd  Cd2  3  0.0  0.0  0.2  1.0
  Cd  Cd3  3  0.0  0.0  0.41  1.0

Y Nb Cd Cd
YNbCd2 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Cd(2), and four equivalent Cd(1) atoms. All Y(1)-Nb(1) bond lengths are 3.01 Å. All Y(1)-Cd(2) bond lengths are 3.08 Å. There is one shorter (2.54 Å) and three longer (3.34 Å) Y(1)-Cd(1) bond lengths. Nb(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Cd(1), and four equivalent Cd(2) atoms. All Nb(1)-Cd(1) bond lengths are 3.08 Å. There is one shorter (2.54 Å) and three longer (3.34 Å) Nb(1)-Cd(2) bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to four equivalent Y(1), three equivalent Nb(1), and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 2.54 Å. In the second Cd site, Cd(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), four equivalent Nb(1), and one Cd(1) atom.