data_AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   6.98
_cell_angle_alpha   106.99
_cell_angle_beta   106.99
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa
_chemical_formula_sum   'Al3 Ga3'
_cell_volume   105.48
_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
  Al  Al0  1  0.64  0.0  0.04  1.0
  Al  Al1  1  0.49  0.0  0.19  1.0
  Al  Al2  1  0.59  0.0  0.86  1.0
  Ga  Ga3  1  0.25  0.0  0.44  1.0
  Ga  Ga4  1  0.41  0.0  0.0  1.0
  Ga  Ga5  1  0.65  0.0  0.33  1.0

data_AlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.57
_cell_length_c   6.98
_cell_angle_alpha   106.99
_cell_angle_beta   90.0
_cell_angle_gamma   105.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa
_chemical_formula_sum   'Al3 Ga3'
_cell_volume   105.48
_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
  Al  Al0  1  0.0  0.36  0.96  1.0
  Al  Al1  1  0.0  0.41  0.14  1.0
  Al  Al2  1  0.0  0.51  0.81  1.0
  Ga  Ga3  1  0.0  0.35  0.67  1.0
  Ga  Ga4  1  0.0  0.59  1.0  1.0
  Ga  Ga5  1  0.0  0.75  0.56  1.0

Al Al Al Ga Ga Ga