data_Al2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2In
_chemical_formula_sum   'Al4 In2'
_cell_volume   149.15
_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  0.83  0.83  0.0  1.0
  Al  Al1  1  0.14  0.14  0.0  1.0
  Al  Al2  1  0.82  0.15  0.09  1.0
  Al  Al3  1  0.15  0.82  0.09  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.99  0.99  0.09  1.0

data_Al2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2In
_chemical_formula_sum   'Al8 In4'
_cell_volume   298.31
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -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  4  0.49  0.33  0.09  1.0
  Al  Al1  2  0.14  0.0  0.0  1.0
  Al  Al2  2  0.33  0.5  0.0  1.0
  In  In3  2  0.0  0.0  0.0  1.0
  In  In4  2  0.49  0.5  0.09  1.0

Al Al Al Al In In