data_La5Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Cd
_chemical_formula_sum   'La5 Cd1'
_cell_volume   210.53
_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  La1  1  0.91  0.91  0.53  1.0
  La  La2  1  0.08  0.08  0.08  1.0
  La  La3  1  0.53  0.91  0.91  1.0
  La  La4  1  0.53  0.53  0.53  1.0
  La  La5  1  0.91  0.53  0.91  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_La5Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   16.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La5Cd
_chemical_formula_sum   'La15 Cd3'
_cell_volume   631.59
_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  9  0.21  0.42  0.88  1.0
  La  La1  3  0.0  0.0  0.47  1.0
  La  La2  3  0.0  0.0  0.92  1.0
  Cd  Cd3  3  0.0  0.0  0.0  1.0

La La La La La Cd
La La La La La Cd 0 4 o o o 0 2 o o o 0 1 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 5 o o o 1 2 o - - 1 3 o o - 1 3 o - o 1 3 - o o 1 4 - o - 2 4 o o o 2 3 o + o 2 3 o o + 2 3 o o o 3 5 o + + 3 5 + o + 3 5 + + o 3 4 - o o 3 4 o o - 3 4 o o o 
La5Cd crystallizes in the trigonal R3m space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one La(2), two equivalent La(1), three equivalent La(3), and two equivalent Cd(1) atoms. The La(1)-La(2) bond length is 2.48 Å. Both La(1)-La(1) bond lengths are 2.49 Å. There are two shorter (3.65 Å) and one longer (4.32 Å) La(1)-La(3) bond length. There is one shorter (3.08 Å) and one longer (3.82 Å) La(1)-Cd(1) bond length. In the second La site, La(2) is bonded in a single-bond geometry to three equivalent La(1) and one Cd(1) atom. The La(2)-Cd(1) bond length is 1.35 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to nine equivalent La(1) atoms. Cd(1) is bonded in a single-bond geometry to one La(2) and six equivalent La(1) atoms.