data_CdBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi2Pd
_chemical_formula_sum   'Cd1 Bi2 Pd1'
_cell_volume   101.0
_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
  Cd  Cd2  1  0.85  0.85  0.85  1.0
  Bi  Bi0  1  0.54  0.54  0.54  1.0
  Bi  Bi1  1  0.7  0.7  0.7  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_CdBi2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdBi2Pd
_chemical_formula_sum   'Cd3 Bi6 Pd3'
_cell_volume   303.01
_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
  Cd  Cd0  3  0.0  0.0  0.15  1.0
  Bi  Bi1  3  0.0  0.0  0.3  1.0
  Bi  Bi2  3  0.0  0.0  0.46  1.0
  Pd  Pd3  3  0.0  0.0  1.0  1.0

Cd Bi Bi Pd
PdCdBi2 crystallizes in the trigonal R3m space group. Pd(1) is bonded in a single-bond geometry to one Cd(1) atom. The Pd(1)-Cd(1) bond length is 1.94 Å. Cd(1) is bonded in a distorted linear geometry to one Pd(1), one Bi(2), and three equivalent Bi(1) atoms. The Cd(1)-Bi(2) bond length is 1.94 Å. All Cd(1)-Bi(1) bond lengths are 3.04 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent Cd(1) and one Bi(2) atom to form distorted corner-sharing BiCd3Bi trigonal pyramids. The Bi(1)-Bi(2) bond length is 1.94 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Bi(1) atom.