data_HfTaAgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaAgAu
_chemical_formula_sum   'Hf1 Ta1 Ag1 Au1'
_cell_volume   75.98
_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
  Hf  Hf2  1  0.68  0.68  0.68  1.0
  Ta  Ta3  1  0.36  0.36  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.04  0.04  0.04  1.0

data_HfTaAgAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTaAgAu
_chemical_formula_sum   'Hf3 Ta3 Ag3 Au3'
_cell_volume   227.95
_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
  Hf  Hf0  3  0.0  0.0  0.32  1.0
  Ta  Ta1  3  0.0  0.0  0.64  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.96  1.0

Hf Ta Ag Au
Hf Ta Ag Au 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 2 o + + 0 2 + o + 0 2 + + o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 o o o 
HfTaAuAg crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to four equivalent Ta(1), three equivalent Au(1), and four equivalent Ag(1) atoms. There are three shorter (2.75 Å) and one longer (3.72 Å) Hf(1)-Ta(1) bond length. All Hf(1)-Au(1) bond lengths are 2.76 Å. There are three shorter (2.75 Å) and one longer (3.72 Å) Hf(1)-Ag(1) bond length. Ta(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), four equivalent Au(1), and three equivalent Ag(1) atoms. There are three shorter (2.75 Å) and one longer (3.72 Å) Ta(1)-Au(1) bond length. All Ta(1)-Ag(1) bond lengths are 2.76 Å. Au(1) is bonded in a single-bond geometry to three equivalent Hf(1), four equivalent Ta(1), and one Ag(1) atom. The Au(1)-Ag(1) bond length is 0.50 Å. Ag(1) is bonded in a single-bond geometry to four equivalent Hf(1), three equivalent Ta(1), and one Au(1) atom.