data_HfMg2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ag
_chemical_formula_sum   'Hf1 Mg2 Ag1'
_cell_volume   81.07
_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  0.25  1.0
  Mg  Mg2  1  0.54  0.54  0.56  1.0
  Mg  Mg3  1  0.54  0.54  0.95  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfMg2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2Ag
_chemical_formula_sum   'Hf2 Mg4 Ag2'
_cell_volume   162.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Mg  Mg1  2  0.04  0.5  0.56  1.0
  Mg  Mg2  2  0.04  0.5  0.95  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Hf Mg Mg Ag
Hf Mg Mg Ag 0 3 o o o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
Mg2HfAg crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Mg(2), four equivalent Mg(1), and four equivalent Hf(1) atoms. The Mg(1)-Mg(2) bond length is 3.35 Å. All Mg(1)-Mg(1) bond lengths are 3.09 Å. There are a spread of Mg(1)-Hf(1) bond distances ranging from 3.26-3.51 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent Ag(1) atoms. There are a spread of Mg(2)-Ag(1) bond distances ranging from 2.04-2.41 Å. Hf(1) is bonded in a single-bond geometry to four equivalent Mg(1) and one Ag(1) atom. The Hf(1)-Ag(1) bond length is 2.15 Å. Ag(1) is bonded to four equivalent Mg(2) and one Hf(1) atom to form a mixture of distorted corner and edge-sharing AgHfMg4 square pyramids.