data_BaHfCdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfCdAu
_chemical_formula_sum   'Ba1 Hf1 Cd1 Au1'
_cell_volume   98.71
_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
  Ba  Ba1  1  0.83  0.83  0.83  1.0
  Hf  Hf3  1  0.67  0.67  0.67  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.5  0.5  0.5  1.0

data_BaHfCdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaHfCdAu
_chemical_formula_sum   'Ba3 Hf3 Cd3 Au3'
_cell_volume   296.12
_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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Hf  Hf1  3  0.0  0.0  0.33  1.0
  Cd  Cd2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.5  1.0

Ba Hf Cd Au
BaHfAuCd crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Hf(1), three equivalent Au(1), and one Cd(1) atom to form distorted BaHfCdAu3 trigonal bipyramids that share corners with six equivalent Ba(1)HfCdAu3 trigonal bipyramids and  a cornercorner with one Au(1)Ba3Hf trigonal pyramid. The Ba(1)-Hf(1) bond length is 2.11 Å. All Ba(1)-Au(1) bond lengths are 3.00 Å. The Ba(1)-Cd(1) bond length is 2.11 Å. Hf(1) is bonded in a distorted linear geometry to one Ba(1) and one Au(1) atom. The Hf(1)-Au(1) bond length is 2.11 Å. Au(1) is bonded to three equivalent Ba(1) and one Hf(1) atom to form distorted AuBa3Hf trigonal pyramids that share  a cornercorner with one Ba(1)HfCdAu3 trigonal bipyramid and corners with six equivalent Au(1)Ba3Hf trigonal pyramids. Cd(1) is bonded in a distorted single-bond geometry to one Ba(1) atom.