data_Al3In2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.48
_cell_length_b   11.48
_cell_length_c   11.48
_cell_angle_alpha   16.48
_cell_angle_beta   16.48
_cell_angle_gamma   16.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3In2
_chemical_formula_sum   'Al3 In2'
_cell_volume   106.25
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.32  1.0
  Al  Al2  1  0.0  0.0  0.66  1.0
  In  In3  1  0.0  0.0  0.67  1.0
  In  In4  1  0.0  0.0  0.3  1.0

data_Al3In2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al3In2
_chemical_formula_sum   'Al6 In4'
_cell_volume   212.49
_cell_formula_units_Z   2
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  2  0.0  0.0  0.0  1.0
  Al  Al1  2  0.0  0.0  0.34  1.0
  Al  Al2  2  0.0  0.0  0.68  1.0
  In  In3  2  0.0  0.0  0.33  1.0
  In  In4  2  0.0  0.0  0.7  1.0

Al Al Al In In
Al Al Al In In 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 2 o o - 0 4 o o o 0 1 o o o 1 4 o o o 2 3 o o o 