data_Y2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdPb
_chemical_formula_sum   'Y2 Cd1 Pb1'
_cell_volume   156.39
_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  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.14  0.14  0.14  1.0
  Cd  Cd0  1  0.28  0.28  0.28  1.0
  Pb  Pb1  1  0.41  0.41  0.41  1.0

data_Y2CdPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   14.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2CdPb
_chemical_formula_sum   'Y6 Cd3 Pb3'
_cell_volume   469.17
_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
  Y  Y1  3  0.0  0.0  0.86  1.0
  Cd  Cd2  3  0.0  0.0  0.72  1.0
  Pb  Pb3  3  0.0  0.0  0.59  1.0

Y Y Cd Pb
Y Y Cd Pb 0 1 o o o 1 2 o o o 2 3 o o o 
Y2CdPb crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one Y(2), three equivalent Cd(1), and three equivalent Pb(1) atoms. The Y(1)-Y(2) bond length is 2.05 Å. All Y(1)-Cd(1) bond lengths are 3.59 Å. All Y(1)-Pb(1) bond lengths are 3.69 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(1), one Cd(1), and three equivalent Pb(1) atoms. The Y(2)-Cd(1) bond length is 2.05 Å. All Y(2)-Pb(1) bond lengths are 3.59 Å. Cd(1) is bonded in a linear geometry to one Y(2), three equivalent Y(1), and one Pb(1) atom. The Cd(1)-Pb(1) bond length is 2.05 Å. Pb(1) is bonded in a distorted single-bond geometry to three equivalent Y(1), three equivalent Y(2), and one Cd(1) atom.