data_LaTl4Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl4Cd
_chemical_formula_sum   'La1 Tl4 Cd1'
_cell_volume   183.65
_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  0.26  0.26  0.26  1.0
  Tl  Tl2  1  0.38  0.38  0.64  1.0
  Tl  Tl3  1  0.38  0.64  0.38  1.0
  Tl  Tl4  1  0.64  0.38  0.38  1.0
  Tl  Tl5  1  0.64  0.64  0.64  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_LaTl4Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   15.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTl4Cd
_chemical_formula_sum   'La3 Tl12 Cd3'
_cell_volume   550.95
_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  0.74  1.0
  Tl  Tl1  9  0.09  0.17  0.53  1.0
  Tl  Tl2  3  0.0  0.0  0.36  1.0
  Cd  Cd3  3  0.0  0.0  0.0  1.0

La Tl Tl Tl Tl Cd
LaCdTl4 crystallizes in the trigonal R3m space group. La(1) is bonded in a 3-coordinate geometry to three equivalent Cd(1), three equivalent Tl(2), and six equivalent Tl(1) atoms. All La(1)-Cd(1) bond lengths are 3.88 Å. All La(1)-Tl(2) bond lengths are 3.77 Å. There are three shorter (3.32 Å) and three longer (3.46 Å) La(1)-Tl(1) bond lengths. Cd(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Tl(1) atoms. All Cd(1)-Tl(1) bond lengths are 3.45 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to two equivalent La(1), one Cd(1), one Tl(2), and two equivalent Tl(1) atoms. The Tl(1)-Tl(2) bond length is 2.86 Å. Both Tl(1)-Tl(1) bond lengths are 1.65 Å. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Tl(1) atoms.