data_AlGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.98
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   96.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Sn
_chemical_formula_sum   'Al1 Ga2 Sn1'
_cell_volume   83.89
_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  0.24  0.0  0.13  1.0
  Ga  Ga1  1  0.49  0.49  0.35  1.0
  Ga  Ga2  1  0.32  0.0  0.25  1.0
  Sn  Sn3  1  0.2  0.49  0.71  1.0

data_AlGa2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   4.98
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   96.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlGa2Sn
_chemical_formula_sum   'Al1 Ga2 Sn1'
_cell_volume   83.89
_cell_formula_units_Z   1
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  1  0.24  0.0  0.13  1.0
  Ga  Ga1  1  0.32  0.0  0.25  1.0
  Ga  Ga2  1  0.49  0.5  0.35  1.0
  Sn  Sn3  1  0.2  0.5  0.71  1.0

Al Ga Ga Sn