data_HfAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   121.99
_cell_angle_beta   121.99
_cell_angle_gamma   86.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2As
_chemical_formula_sum   'Hf1 Ag2 As1'
_cell_volume   74.55
_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  Hf3  1  0.32  0.0  0.74  1.0
  Ag  Ag0  1  0.0  0.0  0.48  1.0
  Ag  Ag1  1  0.0  0.32  0.74  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_HfAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.78
_cell_angle_alpha   119.01
_cell_angle_beta   119.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2As
_chemical_formula_sum   'Hf1 Ag2 As1'
_cell_volume   74.55
_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  0.74  0.42  0.42  1.0
  Ag  Ag1  1  0.42  0.74  0.42  1.0
  Ag  Ag2  1  0.48  0.48  0.48  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Hf Ag Ag As
HfAg2As crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Ag(1) and two equivalent As(1) atoms. The Hf(1)-Ag(1) bond length is 1.36 Å. There is one shorter (2.42 Å) and one longer (2.81 Å) Hf(1)-As(1) bond length. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Hf(1), one Ag(2), and one As(1) atom. The Ag(1)-Ag(2) bond length is 1.36 Å. The Ag(1)-As(1) bond length is 2.27 Å. In the second Ag site, Ag(2) is bonded in a 1-coordinate geometry to one Ag(1) and two equivalent As(1) atoms. There is one shorter (2.42 Å) and one longer (2.81 Å) Ag(2)-As(1) bond length. As(1) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Ag(1), and two equivalent Ag(2) atoms.