data_HfGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.13
_cell_angle_alpha   107.42
_cell_angle_beta   107.42
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa
_chemical_formula_sum   'Hf3 Ga3'
_cell_volume   114.21
_cell_formula_units_Z   3
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  0.53  0.0  0.45  1.0
  Hf  Hf4  1  0.02  0.0  0.97  1.0
  Hf  Hf5  1  0.44  0.0  0.32  1.0
  Ga  Ga0  1  0.03  0.0  0.07  1.0
  Ga  Ga1  1  0.95  0.0  0.73  1.0
  Ga  Ga2  1  0.66  0.0  0.64  1.0

data_HfGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.53
_cell_length_c   7.13
_cell_angle_alpha   107.42
_cell_angle_beta   90.0
_cell_angle_gamma   106.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa
_chemical_formula_sum   'Hf3 Ga3'
_cell_volume   114.21
_cell_formula_units_Z   3
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  0.47  0.55  1.0
  Hf  Hf1  1  0.0  0.56  0.68  1.0
  Hf  Hf2  1  0.0  0.98  0.03  1.0
  Ga  Ga3  1  0.0  0.05  0.27  1.0
  Ga  Ga4  1  0.0  0.34  0.36  1.0
  Ga  Ga5  1  0.0  0.97  0.93  1.0

Hf Hf Hf Ga Ga Ga