data_AlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   3.17
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn
_chemical_formula_sum   'Al2 In2'
_cell_volume   88.95
_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  0.84  0.0  0.57  1.0
  Al  Al1  1  0.28  0.0  0.9  1.0
  In  In2  1  0.84  0.58  0.95  1.0
  In  In3  1  0.28  0.58  0.52  1.0

data_AlIn
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.12
_cell_length_b   3.17
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlIn
_chemical_formula_sum   'Al2 In2'
_cell_volume   88.95
_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  0.22  0.0  0.67  1.0
  In  In1  2  0.22  0.58  0.29  1.0

Al Al In In