data_LiLaTlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTlCd
_chemical_formula_sum   'Li1 La1 Tl1 Cd1'
_cell_volume   100.03
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.84  0.84  0.84  1.0
  Tl  Tl3  1  0.53  0.53  0.53  1.0
  Cd  Cd0  1  0.68  0.68  0.68  1.0

data_LiLaTlCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiLaTlCd
_chemical_formula_sum   'Li3 La3 Tl3 Cd3'
_cell_volume   300.1
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Tl  Tl2  3  0.0  0.0  0.47  1.0
  Cd  Cd3  3  0.0  0.0  0.32  1.0

Li La Tl Cd
LiLaCdTl crystallizes in the trigonal R3m space group. Li(1) is bonded to one La(1) and three equivalent Cd(1) atoms to form LiLaCd3 trigonal pyramids that share  a cornercorner with one Cd(1)Li3LaTl trigonal bipyramid, corners with six equivalent Li(1)LaCd3 trigonal pyramids, and edges with three equivalent Tl(1)La3Cd trigonal pyramids. The Li(1)-La(1) bond length is 2.01 Å. All Li(1)-Cd(1) bond lengths are 3.02 Å. La(1) is bonded in a 5-coordinate geometry to one Li(1), one Cd(1), and three equivalent Tl(1) atoms. The La(1)-Cd(1) bond length is 2.01 Å. All La(1)-Tl(1) bond lengths are 3.02 Å. Cd(1) is bonded to three equivalent Li(1), one La(1), and one Tl(1) atom to form distorted CdLi3LaTl trigonal bipyramids that share corners with six equivalent Cd(1)Li3LaTl trigonal bipyramids,  a cornercorner with one Li(1)LaCd3 trigonal pyramid, and corners with three equivalent Tl(1)La3Cd trigonal pyramids. The Cd(1)-Tl(1) bond length is 2.01 Å. Tl(1) is bonded to three equivalent La(1) and one Cd(1) atom to form TlLa3Cd trigonal pyramids that share corners with three equivalent Cd(1)Li3LaTl trigonal bipyramids, corners with six equivalent Tl(1)La3Cd trigonal pyramids, and edges with three equivalent Li(1)LaCd3 trigonal pyramids.