data_HfAg4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg4Ge
_chemical_formula_sum   'Hf1 Ag4 Ge1'
_cell_volume   116.15
_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  Hf5  1  0.94  0.94  0.94  1.0
  Ag  Ag0  1  0.91  0.91  0.84  1.0
  Ag  Ag1  1  0.91  0.84  0.91  1.0
  Ag  Ag2  1  0.84  0.91  0.91  1.0
  Ag  Ag3  1  0.84  0.84  0.84  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0

data_HfAg4Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   13.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAg4Ge
_chemical_formula_sum   'Hf3 Ag12 Ge3'
_cell_volume   348.46
_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  0.06  1.0
  Ag  Ag1  9  0.04  0.02  0.12  1.0
  Ag  Ag2  3  0.0  0.0  0.16  1.0
  Ge  Ge3  3  0.0  0.0  0.0  1.0

Hf Ag Ag Ag Ag Ge
Hf Ag Ag Ag Ag Ge 0 3 o o o 0 2 o o o 0 1 o o o 0 5 + + + 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 
HfAg4Ge is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three HfAg4Ge clusters. Hf(1) is bonded in a 4-coordinate geometry to three equivalent Ag(1) and one Ge(1) atom. All Hf(1)-Ag(1) bond lengths are 0.74 Å. The Hf(1)-Ge(1) bond length is 0.85 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Hf(1), one Ag(2), and two equivalent Ag(1) atoms. The Ag(1)-Ag(2) bond length is 0.64 Å. Both Ag(1)-Ag(1) bond lengths are 0.37 Å. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to three equivalent Ag(1) atoms. Ge(1) is bonded in a single-bond geometry to one Hf(1) atom.