data_Al8Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   109.74
_cell_angle_beta   109.74
_cell_angle_gamma   109.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8Cr5
_chemical_formula_sum   'Al16 Cr10'
_cell_volume   371.66
_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  0.57  0.76  0.22  1.0
  Al  Al1  1  0.04  0.48  0.22  1.0
  Al  Al2  1  0.47  0.76  0.22  1.0
  Al  Al3  1  0.43  0.76  0.22  1.0
  Al  Al4  1  0.0  0.65  0.59  1.0
  Al  Al5  1  0.43  0.18  0.59  1.0
  Al  Al6  1  0.26  0.31  0.99  1.0
  Al  Al7  1  0.57  0.18  0.59  1.0
  Al  Al8  1  0.29  0.68  0.84  1.0
  Al  Al9  1  0.0  0.64  0.84  1.0
  Al  Al10  1  0.53  0.76  0.22  1.0
  Al  Al11  1  0.96  0.48  0.22  1.0
  Al  Al12  1  0.0  0.0  0.35  1.0
  Al  Al13  1  0.0  0.39  0.99  1.0
  Al  Al14  1  0.74  0.31  0.99  1.0
  Al  Al15  1  0.71  0.68  0.84  1.0
  Cr  Cr16  1  0.24  0.29  0.85  1.0
  Cr  Cr17  1  0.03  0.09  0.6  1.0
  Cr  Cr18  1  0.0  0.81  0.6  1.0
  Cr  Cr19  1  0.0  0.0  0.61  1.0
  Cr  Cr20  1  0.21  0.43  0.8  1.0
  Cr  Cr21  1  0.0  0.41  0.85  1.0
  Cr  Cr22  1  0.76  0.29  0.85  1.0
  Cr  Cr23  1  0.97  0.09  0.6  1.0
  Cr  Cr24  1  0.79  0.43  0.8  1.0
  Cr  Cr25  1  0.0  0.14  0.8  1.0

data_Al8Cr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.77
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   109.74
_cell_angle_beta   109.2
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8Cr5
_chemical_formula_sum   'Al16 Cr10'
_cell_volume   371.66
_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  0.22  0.18  0.74  1.0
  Al  Al1  1  0.22  0.26  0.74  1.0
  Al  Al2  1  0.22  0.65  0.46  1.0
  Al  Al3  1  0.22  0.69  0.46  1.0
  Al  Al4  1  0.22  0.75  0.46  1.0
  Al  Al5  1  0.22  0.79  0.46  1.0
  Al  Al6  1  0.35  0.35  0.35  1.0
  Al  Al7  1  0.59  0.01  0.41  1.0
  Al  Al8  1  0.59  0.16  0.41  1.0
  Al  Al9  1  0.59  0.59  0.94  1.0
  Al  Al10  1  0.84  0.13  0.16  1.0
  Al  Al11  1  0.84  0.55  0.16  1.0
  Al  Al12  1  0.84  0.84  0.2  1.0
  Al  Al13  1  0.99  0.25  0.68  1.0
  Al  Al14  1  0.99  0.72  0.68  1.0
  Al  Al15  1  0.99  0.99  0.6  1.0
  Cr  Cr16  1  0.6  0.56  0.5  1.0
  Cr  Cr17  1  0.6  0.6  0.78  1.0
  Cr  Cr18  1  0.6  0.63  0.5  1.0
  Cr  Cr19  1  0.61  0.61  0.61  1.0
  Cr  Cr20  1  0.8  0.01  0.37  1.0
  Cr  Cr21  1  0.8  0.59  0.37  1.0
  Cr  Cr22  1  0.8  0.8  0.67  1.0
  Cr  Cr23  1  0.85  0.09  0.56  1.0
  Cr  Cr24  1  0.85  0.61  0.56  1.0
  Cr  Cr25  1  0.85  0.85  0.44  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr
Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr 0 10 o o o 1 11 - o o 2 3 o o o 2 10 o o o 4 18 o o o 4 9 o o o 5 7 o o o 6 16 o o o 6 25 o o o 8 20 o o o 9 24 - o o 9 21 o o o 9 15 - o o 12 17 o o o 12 23 - o o 12 19 o o o 13 21 o o o 14 22 o o o 15 24 o o o 16 20 o o o 16 25 o o o 17 23 - o o 17 19 o o o 17 25 o o o 18 19 o + o 19 23 - o o 19 25 o o o 22 24 o o o 23 25 + o o 