data_HfAl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   19.64
_cell_angle_beta   19.64
_cell_angle_gamma   19.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Ge
_chemical_formula_sum   'Hf1 Al2 Ge1'
_cell_volume   74.37
_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  Hf3  1  0.0  0.0  0.38  1.0
  Al  Al0  1  0.0  0.0  0.95  1.0
  Al  Al1  1  0.0  0.0  0.81  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_HfAl2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAl2Ge
_chemical_formula_sum   'Hf2 Al4 Ge2'
_cell_volume   148.74
_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  0.62  1.0
  Al  Al1  2  0.0  0.0  0.05  1.0
  Al  Al2  2  0.0  0.0  0.19  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Hf Al Al Ge
Hf Al Al Ge 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 1 3 o o + 1 2 o o o 