data_HfAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Mo
_chemical_formula_sum   'Hf1 Ag2 Mo1'
_cell_volume   71.31
_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  0.54  1.0
  Ag  Ag0  1  0.92  0.0  0.21  1.0
  Ag  Ag1  1  0.92  0.0  0.86  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_HfAg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAg2Mo
_chemical_formula_sum   'Hf1 Ag2 Mo1'
_cell_volume   71.31
_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  0.0  0.54  1.0
  Ag  Ag1  1  0.92  0.0  0.21  1.0
  Ag  Ag2  1  0.92  0.0  0.86  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Ag Ag Mo
Hf Ag Ag Mo 0 1 - o o 0 0 o + o 0 0 + o o 0 2 - o o 1 3 + o o 2 3 + o + 
HfMoAg2 crystallizes in the triclinic P1 space group. Hf(1) is bonded to four equivalent Hf(1), one Ag(1), and one Ag(2) atom to form a mixture of distorted corner and edge-sharing HfHf4Ag2 octahedra. The corner-sharing octahedra are not tilted. All Hf(1)-Hf(1) bond lengths are 2.81 Å. The Hf(1)-Ag(1) bond length is 2.95 Å. The Hf(1)-Ag(2) bond length is 2.95 Å. Mo(1) is bonded in a distorted linear geometry to one Ag(1) and one Ag(2) atom. The Mo(1)-Ag(1) bond length is 1.93 Å. The Mo(1)-Ag(2) bond length is 1.29 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Mo(1) atom. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Hf(1) and one Mo(1) atom.