data_Hf2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   146.55
_cell_angle_beta   131.38
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnAg
_chemical_formula_sum   'Hf2 Mn1 Ag1'
_cell_volume   74.01
_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  0.0  0.0  0.75  1.0
  Hf  Hf2  1  0.63  0.0  0.68  1.0
  Mn  Mn3  1  0.0  0.0  0.89  1.0
  Ag  Ag0  1  0.0  0.33  0.24  1.0

data_Hf2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.65
_cell_length_c   5.65
_cell_angle_alpha   114.31
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnAg
_chemical_formula_sum   'Hf2 Mn1 Ag1'
_cell_volume   74.01
_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  0.25  0.25  0.25  1.0
  Hf  Hf1  1  0.95  0.32  0.95  1.0
  Mn  Mn2  1  0.11  0.11  0.11  1.0
  Ag  Ag3  1  0.76  0.09  0.09  1.0

Hf Hf Mn Ag
Hf2MnAg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2MnAg cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Mn(1) atom. The Hf(1)-Mn(1) bond length is 0.77 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Mn(1) and one Ag(1) atom. The Hf(2)-Mn(1) bond length is 1.60 Å. The Hf(2)-Ag(1) bond length is 1.78 Å. Mn(1) is bonded in a 2-coordinate geometry to one Hf(1), one Hf(2), and one Ag(1) atom. The Mn(1)-Ag(1) bond length is 1.12 Å. Ag(1) is bonded in a distorted single-bond geometry to one Hf(2) and one Mn(1) atom.