data_HfGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.35
_cell_angle_alpha   108.17
_cell_angle_beta   108.17
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2
_chemical_formula_sum   'Hf2 Ge4'
_cell_volume   113.52
_cell_formula_units_Z   2
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  Hf4  1  0.3  0.0  0.54  1.0
  Hf  Hf5  1  0.33  0.0  0.4  1.0
  Ge  Ge0  1  0.23  0.0  0.7  1.0
  Ge  Ge1  1  0.59  0.0  0.28  1.0
  Ge  Ge2  1  0.04  0.0  0.66  1.0
  Ge  Ge3  1  0.4  0.0  0.24  1.0

data_HfGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.26
_cell_length_b   5.28
_cell_length_c   7.35
_cell_angle_alpha   108.17
_cell_angle_beta   90.0
_cell_angle_gamma   107.99
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfGe2
_chemical_formula_sum   'Hf2 Ge4'
_cell_volume   113.52
_cell_formula_units_Z   2
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  2  0.0  0.48  0.57  1.0
  Ge  Ge1  2  0.0  0.22  0.69  1.0
  Ge  Ge2  2  0.0  0.42  0.73  1.0

Hf Hf Ge Ge Ge Ge