data_LaTaAlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaAlCd
_chemical_formula_sum   'La1 Ta1 Al1 Cd1'
_cell_volume   93.34
_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  La2  1  0.8  0.8  0.8  1.0
  Ta  Ta3  1  0.6  0.6  0.6  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.4  0.4  0.4  1.0

data_LaTaAlCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaTaAlCd
_chemical_formula_sum   'La3 Ta3 Al3 Cd3'
_cell_volume   280.01
_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  0.2  1.0
  Ta  Ta1  3  0.0  0.0  0.4  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Cd  Cd3  3  0.0  0.0  0.6  1.0

La Ta Al Cd
La Ta Al Cd 0 1 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 + + + 0 2 + + o 0 2 o + + 0 2 + o + 1 3 o o o 1 3 o + o 1 3 + o o 1 3 o o + 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 
LaTaCdAl crystallizes in the trigonal R3m space group. La(1) is bonded in a 2-coordinate geometry to one Ta(1), three equivalent Cd(1), and one Al(1) atom. The La(1)-Ta(1) bond length is 2.49 Å. All La(1)-Cd(1) bond lengths are 3.05 Å. The La(1)-Al(1) bond length is 2.49 Å. Ta(1) is bonded in a distorted linear geometry to one La(1) and four equivalent Cd(1) atoms. There is one shorter (2.49 Å) and three longer (3.38 Å) Ta(1)-Cd(1) bond lengths. Cd(1) is bonded in a 10-coordinate geometry to three equivalent La(1), four equivalent Ta(1), and three equivalent Al(1) atoms. All Cd(1)-Al(1) bond lengths are 3.06 Å. Al(1) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Cd(1) atoms.