data_Al4In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   94.87
_cell_angle_beta   94.87
_cell_angle_gamma   146.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4In5
_chemical_formula_sum   'Al4 In5'
_cell_volume   205.14
_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  0.36  0.0  1.0
  Al  Al1  1  0.0  0.48  0.0  1.0
  Al  Al2  1  0.48  0.0  0.0  1.0
  Al  Al3  1  0.36  0.0  0.0  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.33  0.67  0.12  1.0
  In  In6  1  0.67  0.33  0.12  1.0
  In  In7  1  0.25  0.25  0.0  1.0
  In  In8  1  0.67  0.67  0.12  1.0

data_Al4In5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   13.92
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al4In5
_chemical_formula_sum   'Al8 In10'
_cell_volume   410.29
_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  4  0.26  0.26  -0.0  1.0
  Al  Al1  4  0.32  0.32  -0.0  1.0
  In  In2  4  0.0  0.33  0.88  1.0
  In  In3  2  0.0  0.0  0.0  1.0
  In  In4  2  0.25  0.5  -0.0  1.0
  In  In5  2  0.33  0.0  0.88  1.0

Al Al Al Al In In In In In