data_HfMg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   9.99
_cell_angle_alpha   18.02
_cell_angle_beta   18.02
_cell_angle_gamma   18.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ge
_chemical_formula_sum   'Hf1 Mg2 Ge1'
_cell_volume   83.31
_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  Hf1  1  0.0  0.0  0.21  1.0
  Mg  Mg2  1  0.0  0.0  0.01  1.0
  Mg  Mg3  1  0.0  0.0  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.74  1.0

data_HfMg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2Ge
_chemical_formula_sum   'Hf2 Mg4 Ge2'
_cell_volume   166.62
_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  0.79  1.0
  Mg  Mg1  2  0.0  0.0  0.74  1.0
  Mg  Mg2  2  0.0  0.0  0.99  1.0
  Ge  Ge3  2  0.0  0.0  0.26  1.0

Hf Mg Mg Ge
Mg2HfGe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2HfGe clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a linear geometry to one Hf(1) and one Ge(1) atom. The Mg(1)-Hf(1) bond length is 2.04 Å. The Mg(1)-Ge(1) bond length is 2.61 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Hf(1) atom. The Mg(2)-Hf(1) bond length is 0.48 Å. Hf(1) is bonded in a single-bond geometry to one Mg(1) and one Mg(2) atom. Ge(1) is bonded in a single-bond geometry to one Mg(1) atom.