data_AlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   54.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2
_chemical_formula_sum   'Al2 Sn4'
_cell_volume   145.83
_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  0.14  0.5  0.34  1.0
  Al  Al1  1  0.14  0.5  0.01  1.0
  Sn  Sn2  1  0.53  0.19  0.34  1.0
  Sn  Sn3  1  0.76  0.81  0.01  1.0
  Sn  Sn4  1  0.76  0.19  0.34  1.0
  Sn  Sn5  1  0.53  0.81  0.01  1.0

data_AlSn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.3
_cell_length_b   5.35
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   117.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlSn2
_chemical_formula_sum   'Al2 Sn4'
_cell_volume   145.83
_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  0.5  0.16  0.5  1.0
  Sn  Sn1  2  0.19  0.16  0.57  1.0
  Sn  Sn2  2  0.19  0.16  0.8  1.0

Al Al Sn Sn Sn Sn