data_HfGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   137.82
_cell_angle_beta   137.82
_cell_angle_gamma   61.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa
_chemical_formula_sum   'Hf2 Ga2'
_cell_volume   75.05
_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  Hf2  1  0.0  0.0  0.75  1.0
  Hf  Hf3  1  0.99  0.0  0.38  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.99  0.38  1.0

data_HfGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   120.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGa
_chemical_formula_sum   'Hf4 Ga4'
_cell_volume   150.09
_cell_formula_units_Z   4
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  0.75  1.0
  Hf  Hf1  2  0.01  0.0  0.39  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Ga  Ga3  2  0.01  0.0  0.39  1.0

Hf Hf Ga Ga