data_AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa
_chemical_formula_sum   'Al2 Ga2'
_cell_volume   70.51
_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
  Al  Al0  1  0.46  0.85  0.34  1.0
  Al  Al1  1  0.0  0.69  0.15  1.0
  Ga  Ga2  1  0.46  0.85  0.5  1.0
  Ga  Ga3  1  0.0  0.69  0.98  1.0

data_AlGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlGa
_chemical_formula_sum   'Al2 Ga2'
_cell_volume   70.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.58  0.1  1.0
  Ga  Ga1  2  0.23  0.58  0.26  1.0

Al Al Ga Ga