data_AlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   5.0
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn
_chemical_formula_sum   'Al2 Sn2'
_cell_volume   91.15
_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  0.71  0.25  0.68  1.0
  Al  Al1  1  0.03  0.75  0.93  1.0
  Sn  Sn2  1  0.69  0.25  0.69  1.0
  Sn  Sn3  1  0.06  0.75  0.92  1.0

data_AlSn
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   3.25
_cell_length_b   5.0
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   AlSn
_chemical_formula_sum   'Al2 Sn2'
_cell_volume   91.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  0.34  0.25  0.37  1.0
  Sn  Sn1  2  0.32  0.25  0.38  1.0

Al Al Sn Sn