data_La4CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4CdAu
_chemical_formula_sum   'La4 Cd1 Au1'
_cell_volume   187.43
_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  0.68  0.68  0.41  1.0
  La  La3  1  0.68  0.41  0.68  1.0
  La  La4  1  0.41  0.68  0.68  1.0
  La  La5  1  0.41  0.41  0.41  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.81  0.81  0.81  1.0

data_La4CdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   15.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La4CdAu
_chemical_formula_sum   'La12 Cd3 Au3'
_cell_volume   562.28
_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  9  0.18  0.09  0.41  1.0
  La  La1  3  0.0  0.0  0.59  1.0
  Cd  Cd2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.19  1.0

La La La La Cd Au
La La La La Cd Au 0 1 o o o 0 2 o o o 0 3 o o o 0 4 + + o 0 5 o o o 0 5 o o - 1 2 o o o 1 3 o o o 1 4 + o + 1 5 o o o 1 5 o - o 2 3 o o o 2 4 o + + 2 5 o o o 2 5 - o o 4 5 - - - 
La4AuCd crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), two equivalent Au(1), and one Cd(1) atom. The La(1)-La(2) bond length is 3.00 Å. Both La(1)-La(1) bond lengths are 1.73 Å. There is one shorter (3.19 Å) and one longer (3.70 Å) La(1)-Au(1) bond length. The La(1)-Cd(1) bond length is 2.98 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Au(1), and three equivalent Cd(1) atoms. All La(2)-Au(1) bond lengths are 3.88 Å. All La(2)-Cd(1) bond lengths are 3.89 Å. Au(1) is bonded in a 10-coordinate geometry to three equivalent La(2), six equivalent La(1), and one Cd(1) atom. The Au(1)-Cd(1) bond length is 2.94 Å. Cd(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent La(2), and one Au(1) atom.