data_HfAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   137.26
_cell_angle_beta   137.26
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlGa2
_chemical_formula_sum   'Hf1 Al1 Ga2'
_cell_volume   68.4
_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  0.94  0.0  0.28  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.94  0.28  1.0
  Ga  Ga2  1  0.0  0.0  0.56  1.0

data_HfAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.32
_cell_angle_alpha   111.37
_cell_angle_beta   111.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlGa2
_chemical_formula_sum   'Hf1 Al1 Ga2'
_cell_volume   68.4
_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  0.72  0.0  0.66  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.44  0.0  0.44  1.0
  Ga  Ga3  1  0.66  0.94  0.66  1.0

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