data_Al5Sn24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Sn24
_chemical_formula_sum   'Al5 Sn24'
_cell_volume   791.95
_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  0.15  0.85  0.15  1.0
  Al  Al1  1  0.85  0.15  0.15  1.0
  Al  Al2  1  0.15  0.15  0.85  1.0
  Al  Al3  1  0.68  0.68  0.68  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.11  0.89  0.4  1.0
  Sn  Sn6  1  0.89  0.11  0.4  1.0
  Sn  Sn7  1  0.11  0.11  0.26  1.0
  Sn  Sn8  1  0.72  0.72  0.43  1.0
  Sn  Sn9  1  0.11  0.26  0.11  1.0
  Sn  Sn10  1  0.72  0.43  0.72  1.0
  Sn  Sn11  1  0.89  0.4  0.11  1.0
  Sn  Sn12  1  0.11  0.4  0.89  1.0
  Sn  Sn13  1  0.4  0.89  0.11  1.0
  Sn  Sn14  1  0.4  0.11  0.89  1.0
  Sn  Sn15  1  0.43  0.72  0.72  1.0
  Sn  Sn16  1  0.26  0.11  0.11  1.0
  Sn  Sn17  1  0.37  0.63  0.6  1.0
  Sn  Sn18  1  0.63  0.37  0.6  1.0
  Sn  Sn19  1  0.2  0.2  0.23  1.0
  Sn  Sn20  1  0.63  0.63  0.05  1.0
  Sn  Sn21  1  0.2  0.23  0.2  1.0
  Sn  Sn22  1  0.63  0.05  0.63  1.0
  Sn  Sn23  1  0.63  0.6  0.37  1.0
  Sn  Sn24  1  0.37  0.6  0.63  1.0
  Sn  Sn25  1  0.6  0.63  0.37  1.0
  Sn  Sn26  1  0.6  0.37  0.63  1.0
  Sn  Sn27  1  0.05  0.63  0.63  1.0
  Sn  Sn28  1  0.23  0.2  0.2  1.0

data_Al5Sn24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.49
_cell_length_b   16.49
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al5Sn24
_chemical_formula_sum   'Al15 Sn72'
_cell_volume   2375.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.1  0.2  0.05  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Al  Al2  3  0.0  0.0  0.68  1.0
  Sn  Sn3  18  0.07  0.16  0.53  1.0
  Sn  Sn4  18  0.09  0.4  0.8  1.0
  Sn  Sn5  9  0.02  0.01  0.21  1.0
  Sn  Sn6  9  0.1  0.05  0.16  1.0
  Sn  Sn7  9  0.1  0.19  0.62  1.0
  Sn  Sn8  9  0.19  0.38  0.44  1.0

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