data_LaCd4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd4Pb
_chemical_formula_sum   'La1 Cd4 Pb1'
_cell_volume   158.2
_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
  La  La4  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.22  0.22  0.37  1.0
  Cd  Cd1  1  0.22  0.37  0.22  1.0
  Cd  Cd2  1  0.37  0.22  0.22  1.0
  Cd  Cd3  1  0.37  0.37  0.37  1.0
  Pb  Pb5  1  0.15  0.15  0.15  1.0

data_LaCd4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   14.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCd4Pb
_chemical_formula_sum   'La3 Cd12 Pb3'
_cell_volume   474.59
_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
  La  La0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  9  0.05  0.1  0.73  1.0
  Cd  Cd2  3  0.0  0.0  0.63  1.0
  Pb  Pb3  3  0.0  0.0  0.85  1.0

La Cd Cd Cd Cd Pb
La Cd Cd Cd Cd Pb 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
LaCd4Pb crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one Pb(1) atom. All La(1)-Cd(1) bond lengths are 3.14 Å. The La(1)-Pb(1) bond length is 2.18 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one La(1), one Cd(2), two equivalent Cd(1), and one Pb(1) atom. The Cd(1)-Cd(2) bond length is 1.55 Å. Both Cd(1)-Cd(1) bond lengths are 0.90 Å. The Cd(1)-Pb(1) bond length is 1.88 Å. In the second Cd site, Cd(2) is bonded in a 3-coordinate geometry to three equivalent Cd(1) atoms. Pb(1) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Cd(1) atoms.