data_HfTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.0
_cell_angle_alpha   102.96
_cell_angle_beta   102.96
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ge
_chemical_formula_sum   'Hf1 Ti2 Ge1'
_cell_volume   70.64
_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  0.26  0.0  0.43  1.0
  Ti  Ti2  1  0.88  0.0  0.09  1.0
  Ti  Ti3  1  0.63  0.0  0.76  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_HfTi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.0
_cell_length_c   5.07
_cell_angle_alpha   102.96
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ge
_chemical_formula_sum   'Hf1 Ti2 Ge1'
_cell_volume   70.64
_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  0.43  0.26  1.0
  Ti  Ti1  1  0.0  0.09  0.88  1.0
  Ti  Ti2  1  0.0  0.76  0.63  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Hf Ti Ti Ge