data_Hf2MgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   135.31
_cell_angle_beta   131.56
_cell_angle_gamma   68.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgGe
_chemical_formula_sum   'Hf2 Mg1 Ge1'
_cell_volume   78.31
_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  0.03  0.0  0.34  1.0
  Hf  Hf2  1  0.0  0.19  0.08  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.42  1.0

data_Hf2MgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.37
_cell_length_c   5.33
_cell_angle_alpha   114.22
_cell_angle_beta   112.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgGe
_chemical_formula_sum   'Hf2 Mg1 Ge1'
_cell_volume   78.31
_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  0.34  0.31  1.0
  Hf  Hf1  1  0.81  0.89  0.89  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.42  0.42  1.0

Hf Hf Mg Ge
Mg(Hf)HfGe is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfGe cluster and one Mg(Hf) cluster. In the HfGe cluster, Hf(1) is bonded in a single-bond geometry to one Ge(1) atom. The Hf(1)-Ge(1) bond length is 0.54 Å. Ge(1) is bonded in a single-bond geometry to one Hf(1) atom. In the Mg(Hf) cluster, Mg(1) is bonded in a distorted single-bond geometry to one Hf(2) atom. The Mg(1)-Hf(2) bond length is 0.75 Å. Hf(2) is bonded in a distorted single-bond geometry to one Mg(1) atom.