data_TaCdW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdW4
_chemical_formula_sum   'Ta1 Cd1 W4'
_cell_volume   107.15
_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
  Ta  Ta1  1  0.88  0.88  0.88  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.82  0.82  0.72  1.0
  W  W3  1  0.82  0.72  0.82  1.0
  W  W4  1  0.72  0.82  0.82  1.0
  W  W5  1  0.72  0.72  0.72  1.0

data_TaCdW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   13.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaCdW4
_chemical_formula_sum   'Ta3 Cd3 W12'
_cell_volume   321.45
_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
  Ta  Ta0  3  0.0  0.0  0.12  1.0
  Cd  Cd1  3  0.0  0.0  -0.0  1.0
  W  W2  9  0.07  0.03  0.21  1.0
  W  W3  3  0.0  0.0  0.28  1.0

Ta Cd W W W W
TaW4Cd crystallizes in the trigonal R3m space group. Ta(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent W(1) and one Cd(1) atom. All Ta(1)-W(1) bond lengths are 1.32 Å. The Ta(1)-Cd(1) bond length is 1.50 Å. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent W(1) and three equivalent Cd(1) atoms. All W(2)-W(1) bond lengths are 0.96 Å. All W(2)-Cd(1) bond lengths are 3.15 Å. In the second W site, W(1) is bonded in a 5-coordinate geometry to one Ta(1), one W(2), two equivalent W(1), and one Cd(1) atom. Both W(1)-W(1) bond lengths are 0.56 Å. The W(1)-Cd(1) bond length is 3.17 Å. Cd(1) is bonded in a distorted single-bond geometry to one Ta(1), three equivalent W(1), and three equivalent W(2) atoms.