data_Al3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Sn
_chemical_formula_sum   'Al12 Sn4'
_cell_volume   316.21
_cell_formula_units_Z   4
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  0.48  0.64  0.91  1.0
  Al  Al1  1  0.48  0.64  0.0  1.0
  Al  Al2  1  0.52  0.64  0.91  1.0
  Al  Al3  1  0.05  0.0  0.91  1.0
  Al  Al4  1  0.05  0.0  0.0  1.0
  Al  Al5  1  0.52  0.64  0.0  1.0
  Al  Al6  1  0.44  0.35  0.36  1.0
  Al  Al7  1  0.61  0.93  0.45  1.0
  Al  Al8  1  0.56  0.35  0.36  1.0
  Al  Al9  1  0.0  0.86  0.36  1.0
  Al  Al10  1  0.05  0.42  0.45  1.0
  Al  Al11  1  0.49  0.93  0.45  1.0
  Sn  Sn12  1  0.0  0.0  0.91  1.0
  Sn  Sn13  1  0.0  0.0  0.0  1.0
  Sn  Sn14  1  0.05  0.76  0.36  1.0
  Sn  Sn15  1  0.0  0.52  0.45  1.0

data_Al3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Sn
_chemical_formula_sum   'Al12 Sn4'
_cell_volume   316.21
_cell_formula_units_Z   4
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  0.86  0.36  1.0
  Al  Al1  1  0.05  0.0  0.0  1.0
  Al  Al2  1  0.05  0.0  0.91  1.0
  Al  Al3  1  0.05  0.42  0.45  1.0
  Al  Al4  1  0.44  0.35  0.36  1.0
  Al  Al5  1  0.48  0.64  0.0  1.0
  Al  Al6  1  0.48  0.64  0.91  1.0
  Al  Al7  1  0.49  0.93  0.45  1.0
  Al  Al8  1  0.52  0.64  0.0  1.0
  Al  Al9  1  0.52  0.64  0.91  1.0
  Al  Al10  1  0.56  0.35  0.36  1.0
  Al  Al11  1  0.61  0.93  0.45  1.0
  Sn  Sn12  1  0.0  0.0  0.0  1.0
  Sn  Sn13  1  0.0  0.0  0.91  1.0
  Sn  Sn14  1  0.0  0.52  0.45  1.0
  Sn  Sn15  1  0.05  0.76  0.36  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Sn Sn Sn Sn