data_HfMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ag
_chemical_formula_sum   'Hf1 Mg2 Ag1'
_cell_volume   82.7
_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  0.71  0.0  0.58  1.0
  Mg  Mg2  1  0.0  0.0  0.9  1.0
  Mg  Mg3  1  0.71  0.0  0.29  1.0
  Ag  Ag0  1  0.0  0.0  1.0  1.0

data_HfMg2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ag
_chemical_formula_sum   'Hf1 Mg2 Ag1'
_cell_volume   82.7
_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  0.71  0.0  0.58  1.0
  Mg  Mg1  1  0.0  0.0  0.9  1.0
  Mg  Mg2  1  0.71  0.0  0.29  1.0
  Ag  Ag3  1  0.0  0.0  1.0  1.0

Hf Mg Mg Ag
Mg2HfAg crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Hf(1) and one Ag(1) atom. The Mg(1)-Hf(1) bond length is 3.28 Å. The Mg(1)-Ag(1) bond length is 0.95 Å. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to four equivalent Mg(2), one Hf(1), and one Ag(1) atom. All Mg(2)-Mg(2) bond lengths are 2.98 Å. The Mg(2)-Hf(1) bond length is 2.88 Å. The Mg(2)-Ag(1) bond length is 3.03 Å. Hf(1) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), and four equivalent Hf(1) atoms. All Hf(1)-Hf(1) bond lengths are 2.98 Å. Ag(1) is bonded in a single-bond geometry to one Mg(1) and one Mg(2) atom.