data_Hf2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaGe
_chemical_formula_sum   'Hf2 Ga1 Ge1'
_cell_volume   78.82
_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  0.0  0.0  0.36  1.0
  Hf  Hf3  1  0.89  0.89  0.53  1.0
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Ge  Ge1  1  0.89  0.89  0.31  1.0

data_Hf2GaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2GaGe
_chemical_formula_sum   'Hf4 Ga2 Ge2'
_cell_volume   157.64
_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  0.36  1.0
  Hf  Hf1  2  0.39  0.5  0.53  1.0
  Ga  Ga2  2  0.0  0.0  0.57  1.0
  Ge  Ge3  2  0.39  0.5  0.31  1.0

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