data_AlGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa3
_chemical_formula_sum   'Al1 Ga3'
_cell_volume   71.82
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  Ga  Ga1  1  0.46  0.09  0.47  1.0
  Ga  Ga2  1  0.46  0.91  0.47  1.0
  Ga  Ga3  1  0.92  0.0  0.0  1.0

data_AlGa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   110.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa3
_chemical_formula_sum   'Al1 Ga3'
_cell_volume   71.82
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.92  0.0  1.0
  Ga  Ga2  1  0.47  0.46  0.09  1.0
  Ga  Ga3  1  0.47  0.46  0.91  1.0

Al Ga Ga Ga
Al Ga Ga Ga 0 3 - o o 1 2 o - o 