data_HfZnAgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnAgBi
_chemical_formula_sum   'Hf1 Zn1 Ag1 Bi1'
_cell_volume   86.98
_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  0.52  0.52  0.52  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.76  0.76  0.76  1.0
  Bi  Bi1  1  0.28  0.28  0.28  1.0

data_HfZnAgBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfZnAgBi
_chemical_formula_sum   'Hf3 Zn3 Ag3 Bi3'
_cell_volume   260.95
_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  0.48  1.0
  Zn  Zn1  3  0.0  0.0  -0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.24  1.0
  Bi  Bi3  3  0.0  0.0  0.72  1.0

Hf Zn Ag Bi
Hf Zn Ag Bi 0 1 o o + 0 1 o + o 0 1 o + + 0 1 + o o 0 1 + o + 0 1 + + o 0 3 o o o 0 3 o o + 0 3 + o o 0 3 o + o 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 1 2 - - - 1 2 - - o 1 2 o - - 1 2 - o - 1 3 - o o 1 3 o - o 1 3 o o - 1 3 o o o 2 3 o o + 2 3 o + o 2 3 o + + 2 3 + o o 2 3 + o + 2 3 + + o 
HfAgZnBi crystallizes in the trigonal R3m space group. Hf(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ag(1) and four equivalent Bi(1) atoms. There is one shorter (2.94 Å) and three longer (3.08 Å) Hf(1)-Ag(1) bond lengths. There is one shorter (2.94 Å) and three longer (3.08 Å) Hf(1)-Bi(1) bond lengths. Ag(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hf(1) and four equivalent Zn(1) atoms. There is one shorter (2.94 Å) and three longer (3.08 Å) Ag(1)-Zn(1) bond lengths. Zn(1) is bonded in a 7-coordinate geometry to four equivalent Ag(1) and three equivalent Bi(1) atoms. All Zn(1)-Bi(1) bond lengths are 2.96 Å. Bi(1) is bonded in a 7-coordinate geometry to four equivalent Hf(1) and three equivalent Zn(1) atoms.