data_Hf2(TiGa)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2(TiGa)3
_chemical_formula_sum   'Hf4 Ti6 Ga6'
_cell_volume   293.82
_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  Hf0  1  0.0  0.48  0.81  1.0
  Hf  Hf1  1  0.88  0.24  0.81  1.0
  Hf  Hf2  1  0.88  0.24  0.0  1.0
  Hf  Hf3  1  0.0  0.48  0.0  1.0
  Ti  Ti4  1  0.93  0.0  0.41  1.0
  Ti  Ti5  1  0.04  0.13  0.41  1.0
  Ti  Ti6  1  0.92  0.6  0.41  1.0
  Ti  Ti7  1  0.84  0.0  0.22  1.0
  Ti  Ti8  1  0.08  0.6  0.22  1.0
  Ti  Ti9  1  0.96  0.13  0.22  1.0
  Ga  Ga10  1  0.0  0.0  0.41  1.0
  Ga  Ga11  1  0.5  0.6  0.41  1.0
  Ga  Ga12  1  0.38  0.13  0.41  1.0
  Ga  Ga13  1  0.77  0.0  0.22  1.0
  Ga  Ga14  1  0.62  0.13  0.22  1.0
  Ga  Ga15  1  0.5  0.6  0.22  1.0

data_Hf2(TiGa)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2(TiGa)3
_chemical_formula_sum   'Hf4 Ti6 Ga6'
_cell_volume   293.82
_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  Hf0  1  -0.0  -0.0  0.48  1.0
  Hf  Hf1  1  -0.0  0.88  0.24  1.0
  Hf  Hf2  1  0.81  -0.0  0.48  1.0
  Hf  Hf3  1  0.81  0.88  0.24  1.0
  Ti  Ti4  1  0.22  0.08  0.6  1.0
  Ti  Ti5  1  0.22  0.84  0.0  1.0
  Ti  Ti6  1  0.22  0.96  0.13  1.0
  Ti  Ti7  1  0.41  0.04  0.13  1.0
  Ti  Ti8  1  0.41  0.92  0.6  1.0
  Ti  Ti9  1  0.41  0.93  0.0  1.0
  Ga  Ga10  1  0.22  0.5  0.6  1.0
  Ga  Ga11  1  0.22  0.62  0.13  1.0
  Ga  Ga12  1  0.22  0.77  0.0  1.0
  Ga  Ga13  1  0.41  0.0  0.0  1.0
  Ga  Ga14  1  0.41  0.38  0.13  1.0
  Ga  Ga15  1  0.41  0.5  0.6  1.0

Hf Hf Hf Hf Ti Ti Ti Ti Ti Ti Ga Ga Ga Ga Ga Ga