data_HfSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Ag
_chemical_formula_sum   'Hf1 Si2 Ag1'
_cell_volume   68.52
_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  0.3  0.0  0.0  1.0
  Si  Si2  1  0.65  0.3  0.53  1.0
  Si  Si3  1  0.65  0.7  0.53  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfSi2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfSi2Ag
_chemical_formula_sum   'Hf1 Si2 Ag1'
_cell_volume   68.55
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.3  1.0
  Si  Si1  2  0.53  0.3  0.65  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0

Hf Si Si Ag
Hf Si Si Ag 0 3 o o o 1 2 o o o 
HfAgSi2 crystallizes in the monoclinic Pm space group. Hf(1) is bonded in a distorted single-bond geometry to one Ag(1) and four equivalent Si(1) atoms. The Hf(1)-Ag(1) bond length is 1.43 Å. There are two shorter (2.62 Å) and two longer (2.71 Å) Hf(1)-Si(1) bond lengths. Ag(1) is bonded in a single-bond geometry to one Hf(1) and four equivalent Si(1) atoms. There are two shorter (2.62 Å) and two longer (2.71 Å) Ag(1)-Si(1) bond lengths. Si(1) is bonded in a 5-coordinate geometry to two equivalent Hf(1), two equivalent Ag(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 1.90 Å.