data_LiTlCdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlCdW
_chemical_formula_sum   'Li1 Tl1 Cd1 W1'
_cell_volume   78.39
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.1  0.1  0.1  1.0
  Cd  Cd0  1  0.4  0.4  0.4  1.0
  W  W3  1  0.7  0.7  0.7  1.0

data_LiTlCdW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiTlCdW
_chemical_formula_sum   'Li3 Tl3 Cd3 W3'
_cell_volume   235.16
_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
  Tl  Tl1  3  0.0  0.0  0.9  1.0
  Cd  Cd2  3  0.0  0.0  0.6  1.0
  W  W3  3  0.0  0.0  0.3  1.0

Li Tl Cd W
Li Tl Cd W 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o - 1 2 o - o 1 2 - o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
LiWCdTl crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to four equivalent W(1), three equivalent Cd(1), and one Tl(1) atom. There are three shorter (2.80 Å) and one longer (3.55 Å) Li(1)-W(1) bond length. All Li(1)-Cd(1) bond lengths are 2.87 Å. The Li(1)-Tl(1) bond length is 1.12 Å. W(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Cd(1), and three equivalent Tl(1) atoms. There are three shorter (2.80 Å) and one longer (3.55 Å) W(1)-Cd(1) bond length. All W(1)-Tl(1) bond lengths are 2.87 Å. Cd(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent W(1), and four equivalent Tl(1) atoms. There are three shorter (2.80 Å) and one longer (3.55 Å) Cd(1)-Tl(1) bond length. Tl(1) is bonded in a single-bond geometry to one Li(1), three equivalent W(1), and four equivalent Cd(1) atoms.