data_HfSiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   150.01
_cell_angle_beta   132.63
_cell_angle_gamma   57.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiAg2
_chemical_formula_sum   'Hf1 Si1 Ag2'
_cell_volume   71.53
_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  0.0  0.0  0.1  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.33  0.8  1.0
  Ag  Ag1  1  0.5  0.0  0.3  1.0

data_HfSiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.67
_cell_length_c   5.81
_cell_angle_alpha   113.69
_cell_angle_beta   104.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiAg2
_chemical_formula_sum   'Hf1 Si1 Ag2'
_cell_volume   71.53
_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  Hf0  1  0.0  0.1  0.1  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.3  0.8  1.0
  Ag  Ag3  1  0.67  0.47  0.47  1.0

Hf Si Ag Ag
Hf Si Ag Ag 0 1 o o o 0 2 o - - 0 2 o o o 0 3 o o o 1 2 o - - 1 2 o o - 1 3 o o o 2 3 - o o 2 2 o + + 
HfAg2Si crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Ag(2), two equivalent Ag(1), and one Si(1) atom. The Hf(1)-Ag(2) bond length is 2.30 Å. There is one shorter (2.53 Å) and one longer (2.59 Å) Hf(1)-Ag(1) bond length. The Hf(1)-Si(1) bond length is 0.59 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent Hf(1) and one Ag(2) atom. The Ag(1)-Ag(2) bond length is 2.33 Å. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one Hf(1), one Ag(1), two equivalent Ag(2), and two equivalent Si(1) atoms. Both Ag(2)-Ag(2) bond lengths are 3.00 Å. There is one shorter (2.16 Å) and one longer (3.00 Å) Ag(2)-Si(1) bond length. Si(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Ag(2) atoms.