data_HfMgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   5.01
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgGe2
_chemical_formula_sum   'Hf1 Mg1 Ge2'
_cell_volume   75.29
_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  Hf2  1  0.8  0.5  0.02  1.0
  Mg  Mg3  1  0.91  0.0  0.72  1.0
  Ge  Ge0  1  0.38  0.5  0.53  1.0
  Ge  Ge1  1  0.37  0.0  0.22  1.0

data_HfMgGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   5.01
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfMgGe2
_chemical_formula_sum   'Hf1 Mg1 Ge2'
_cell_volume   75.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.8  0.5  0.02  1.0
  Mg  Mg1  1  0.91  0.0  0.72  1.0
  Ge  Ge2  1  0.37  0.0  0.22  1.0
  Ge  Ge3  1  0.38  0.5  0.53  1.0

Hf Mg Ge Ge
Hf Mg Ge Ge 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 0 + o o 0 1 o o - 0 1 o + - 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 1 + o o 2 3 o o o 2 3 o + o 2 2 + o o 3 3 + o o 
MgHfGe2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Hf(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form a mixture of distorted face, corner, and edge-sharing MgHf2Mg2Ge8 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.01 Å. There is one shorter (2.91 Å) and one longer (2.93 Å) Mg(1)-Hf(1) bond length. There are a spread of Mg(1)-Ge(1) bond distances ranging from 3.02-3.12 Å. There are a spread of Mg(1)-Ge(2) bond distances ranging from 2.86-3.00 Å. Hf(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Hf(1), four equivalent Ge(1), and four equivalent Ge(2) atoms. Both Hf(1)-Hf(1) bond lengths are 3.01 Å. There are a spread of Hf(1)-Ge(1) bond distances ranging from 2.73-3.10 Å. There are a spread of Hf(1)-Ge(2) bond distances ranging from 2.99-3.22 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 12-coordinate geometry to four equivalent Mg(1), four equivalent Hf(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both Ge(1)-Ge(1) bond lengths are 3.01 Å. There is one shorter (2.92 Å) and one longer (2.94 Å) Ge(1)-Ge(2) bond length. In the second Ge site, Ge(2) is bonded in a 12-coordinate geometry to four equivalent Mg(1), four equivalent Hf(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both Ge(2)-Ge(2) bond lengths are 3.01 Å.