data_LaCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Au
_chemical_formula_sum   'La1 Cd2 Au1'
_cell_volume   97.21
_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  La3  1  0.65  0.65  0.65  1.0
  Cd  Cd1  1  0.82  0.82  0.82  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.47  0.47  0.47  1.0

data_LaCd2Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCd2Au
_chemical_formula_sum   'La3 Cd6 Au3'
_cell_volume   291.64
_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  0.35  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.18  1.0
  Au  Au3  3  0.0  0.0  0.53  1.0

La Cd Cd Au
La Cd Cd Au 0 3 o o o 0 1 o o o 1 2 + + + 
LaAuCd2 crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted linear geometry to one Au(1), one Cd(1), and three equivalent Cd(2) atoms. The La(1)-Au(1) bond length is 2.22 Å. The La(1)-Cd(1) bond length is 2.22 Å. All La(1)-Cd(2) bond lengths are 2.99 Å. Au(1) is bonded in a distorted single-bond geometry to one La(1), three equivalent Cd(1), and three equivalent Cd(2) atoms. All Au(1)-Cd(1) bond lengths are 2.99 Å. All Au(1)-Cd(2) bond lengths are 3.47 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one La(1), three equivalent Au(1), and one Cd(2) atom to form distorted corner-sharing CdLaCdAu3 trigonal bipyramids. The Cd(1)-Cd(2) bond length is 2.22 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent Au(1), and one Cd(1) atom.