data_Al3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   14.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ga
_chemical_formula_sum   'Al18 Ga6'
_cell_volume   405.35
_cell_formula_units_Z   6
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
  Al  Al0  1  0.87  0.01  0.55  1.0
  Al  Al1  1  0.3  0.48  0.55  1.0
  Al  Al2  1  0.44  0.48  0.55  1.0
  Al  Al3  1  0.0  0.96  0.65  1.0
  Al  Al4  1  0.57  0.49  0.65  1.0
  Al  Al5  1  0.43  0.49  0.65  1.0
  Al  Al6  1  0.87  0.32  0.93  1.0
  Al  Al7  1  0.43  0.83  0.93  1.0
  Al  Al8  1  0.31  0.83  0.93  1.0
  Al  Al9  1  0.87  0.32  0.18  1.0
  Al  Al10  1  0.43  0.83  0.18  1.0
  Al  Al11  1  0.31  0.83  0.18  1.0
  Al  Al12  1  0.0  0.66  0.28  1.0
  Al  Al13  1  0.44  0.14  0.28  1.0
  Al  Al14  1  0.56  0.14  0.28  1.0
  Al  Al15  1  0.0  0.66  0.03  1.0
  Al  Al16  1  0.44  0.14  0.03  1.0
  Al  Al17  1  0.56  0.14  0.03  1.0
  Ga  Ga18  1  0.0  0.0  0.55  1.0
  Ga  Ga19  1  0.0  0.0  0.65  1.0
  Ga  Ga20  1  0.87  0.66  0.05  1.0
  Ga  Ga21  1  0.87  0.66  0.26  1.0
  Ga  Ga22  1  0.0  0.31  0.95  1.0
  Ga  Ga23  1  0.0  0.31  0.15  1.0

data_Al3Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   14.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ga
_chemical_formula_sum   'Al18 Ga6'
_cell_volume   405.35
_cell_formula_units_Z   6
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
  Al  Al0  1  0.0  0.66  0.03  1.0
  Al  Al1  1  0.0  0.66  0.28  1.0
  Al  Al2  1  0.0  0.96  0.65  1.0
  Al  Al3  1  0.3  0.48  0.55  1.0
  Al  Al4  1  0.31  0.83  0.18  1.0
  Al  Al5  1  0.31  0.83  0.93  1.0
  Al  Al6  1  0.43  0.49  0.65  1.0
  Al  Al7  1  0.43  0.83  0.18  1.0
  Al  Al8  1  0.43  0.83  0.93  1.0
  Al  Al9  1  0.44  0.14  0.03  1.0
  Al  Al10  1  0.44  0.14  0.28  1.0
  Al  Al11  1  0.44  0.48  0.55  1.0
  Al  Al12  1  0.56  0.14  0.03  1.0
  Al  Al13  1  0.56  0.14  0.28  1.0
  Al  Al14  1  0.57  0.49  0.65  1.0
  Al  Al15  1  0.87  0.01  0.55  1.0
  Al  Al16  1  0.87  0.32  0.18  1.0
  Al  Al17  1  0.87  0.32  0.93  1.0
  Ga  Ga18  1  0.0  0.0  0.55  1.0
  Ga  Ga19  1  0.0  0.0  0.65  1.0
  Ga  Ga20  1  0.0  0.31  0.15  1.0
  Ga  Ga21  1  0.0  0.31  0.95  1.0
  Ga  Ga22  1  0.87  0.66  0.05  1.0
  Ga  Ga23  1  0.87  0.66  0.26  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Ga Ga Ga Ga Ga Ga