data_HfNiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiAg
_chemical_formula_sum   'Hf1 Ni1 Ag1'
_cell_volume   60.08
_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  Hf1  1  0.55  0.55  0.55  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.11  0.11  0.11  1.0

data_HfNiAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfNiAg
_chemical_formula_sum   'Hf3 Ni3 Ag3'
_cell_volume   180.25
_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  0.45  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.89  1.0

Hf Ni Ag
HfNiAg crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent Ni(1) and three equivalent Ag(1) atoms to form distorted HfNi3Ag3 octahedra that share corners with three equivalent Ni(1)Hf3Ag tetrahedra, corners with three equivalent Ag(1)Hf3Ni tetrahedra, and edges with six equivalent Hf(1)Ni3Ag3 octahedra. All Hf(1)-Ni(1) bond lengths are 2.81 Å. All Hf(1)-Ag(1) bond lengths are 2.81 Å. Ni(1) is bonded to three equivalent Hf(1) and one Ag(1) atom to form distorted NiHf3Ag tetrahedra that share corners with three equivalent Hf(1)Ni3Ag3 octahedra, corners with three equivalent Ag(1)Hf3Ni tetrahedra, corners with six equivalent Ni(1)Hf3Ag tetrahedra, and edges with three equivalent Ag(1)Hf3Ni tetrahedra. The corner-sharing octahedral tilt angles are 65°. The Ni(1)-Ag(1) bond length is 1.17 Å. Ag(1) is bonded to three equivalent Hf(1) and one Ni(1) atom to form distorted AgHf3Ni tetrahedra that share corners with three equivalent Hf(1)Ni3Ag3 octahedra, corners with three equivalent Ni(1)Hf3Ag tetrahedra, corners with six equivalent Ag(1)Hf3Ni tetrahedra, and edges with three equivalent Ni(1)Hf3Ag tetrahedra. The corner-sharing octahedral tilt angles are 65°.