data_Al5In4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5In4
_chemical_formula_sum   'Al10 In8'
_cell_volume   419.42
_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  0.14  0.45  0.54  1.0
  Al  Al1  1  0.66  0.0  0.54  1.0
  Al  Al2  1  0.67  0.3  0.54  1.0
  Al  Al3  1  0.33  0.3  0.51  1.0
  Al  Al4  1  0.29  0.0  0.51  1.0
  Al  Al5  1  0.86  0.45  0.51  1.0
  Al  Al6  1  0.0  0.16  0.03  1.0
  Al  Al7  1  0.47  0.58  0.0  1.0
  Al  Al8  1  0.47  0.58  0.03  1.0
  Al  Al9  1  0.0  0.16  0.0  1.0
  In  In10  1  0.0  0.0  0.03  1.0
  In  In11  1  0.0  0.0  0.0  1.0
  In  In12  1  0.69  0.93  0.54  1.0
  In  In13  1  0.56  0.0  0.54  1.0
  In  In14  1  0.22  0.82  0.54  1.0
  In  In15  1  0.78  0.82  0.51  1.0
  In  In16  1  0.38  0.0  0.51  1.0
  In  In17  1  0.31  0.93  0.51  1.0

data_Al5In4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   8.95
_cell_length_c   8.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5In4
_chemical_formula_sum   'Al10 In8'
_cell_volume   419.42
_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  -0.0  0.47  0.58  1.0
  Al  Al1  1  -0.0  0.0  0.16  1.0
  Al  Al2  1  0.03  0.0  0.16  1.0
  Al  Al3  1  0.03  0.47  0.58  1.0
  Al  Al4  1  0.51  0.29  0.0  1.0
  Al  Al5  1  0.51  0.33  0.3  1.0
  Al  Al6  1  0.51  0.86  0.45  1.0
  Al  Al7  1  0.54  0.14  0.45  1.0
  Al  Al8  1  0.54  0.66  0.0  1.0
  Al  Al9  1  0.54  0.67  0.3  1.0
  In  In10  1  0.0  0.0  0.0  1.0
  In  In11  1  0.03  0.0  0.0  1.0
  In  In12  1  0.51  0.31  0.93  1.0
  In  In13  1  0.51  0.38  0.0  1.0
  In  In14  1  0.51  0.78  0.82  1.0
  In  In15  1  0.54  0.22  0.82  1.0
  In  In16  1  0.54  0.56  0.0  1.0
  In  In17  1  0.54  0.69  0.93  1.0

Al Al Al Al Al Al Al Al Al Al In In In In In In In In
Al Al Al Al Al Al Al Al Al Al In In In In In In In In 0 5 - o o 0 14 o o o 0 3 o o o 1 13 o o o 1 12 o - o 2 5 o o o 2 3 o o o 3 16 o o o 3 4 o o o 4 17 o - o 4 16 o o o 6 9 o o o 7 8 o o o 10 11 o o o 12 15 o o o 14 17 o o o 16 17 o - o 