data_KAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.91
_cell_length_b   12.35
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl
_chemical_formula_sum   'K12 Al12'
_cell_volume   884.1
_cell_formula_units_Z   12
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
  K  K12  1  0.39  0.02  0.39  1.0
  K  K13  1  0.53  0.33  0.16  1.0
  K  K14  1  0.53  0.2  0.39  1.0
  K  K15  1  0.39  0.15  0.16  1.0
  K  K16  1  0.08  0.8  0.39  1.0
  K  K17  1  0.83  0.55  0.16  1.0
  K  K18  1  0.83  0.63  0.39  1.0
  K  K19  1  0.08  0.72  0.16  1.0
  K  K20  1  0.9  0.26  0.0  1.0
  K  K21  1  0.01  0.09  0.77  1.0
  K  K22  1  0.01  0.09  0.0  1.0
  K  K23  1  0.9  0.26  0.77  1.0
  Al  Al0  1  0.35  0.6  0.39  1.0
  Al  Al1  1  0.56  0.76  0.16  1.0
  Al  Al2  1  0.56  0.77  0.39  1.0
  Al  Al3  1  0.35  0.58  0.16  1.0
  Al  Al4  1  0.82  0.36  0.39  1.0
  Al  Al5  1  0.09  1.0  0.16  1.0
  Al  Al6  1  0.09  0.18  0.39  1.0
  Al  Al7  1  0.82  0.17  0.16  1.0
  Al  Al8  1  0.18  0.26  0.0  1.0
  Al  Al9  1  0.73  0.09  0.77  1.0
  Al  Al10  1  0.73  0.09  0.0  1.0
  Al  Al11  1  0.18  0.26  0.77  1.0

data_KAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   12.35
_cell_length_c   12.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl
_chemical_formula_sum   'K12 Al12'
_cell_volume   884.1
_cell_formula_units_Z   12
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
  K  K0  1  0.0  0.74  0.1  1.0
  K  K1  1  0.0  0.91  0.99  1.0
  K  K2  1  0.23  0.74  0.1  1.0
  K  K3  1  0.23  0.91  0.99  1.0
  K  K4  1  0.61  0.2  0.92  1.0
  K  K5  1  0.61  0.37  0.17  1.0
  K  K6  1  0.61  0.8  0.47  1.0
  K  K7  1  0.61  0.98  0.61  1.0
  K  K8  1  0.84  0.28  0.92  1.0
  K  K9  1  0.84  0.45  0.17  1.0
  K  K10  1  0.84  0.67  0.47  1.0
  K  K11  1  0.84  0.85  0.61  1.0
  Al  Al12  1  0.0  0.74  0.82  1.0
  Al  Al13  1  0.0  0.91  0.27  1.0
  Al  Al14  1  0.23  0.74  0.82  1.0
  Al  Al15  1  0.23  0.91  0.27  1.0
  Al  Al16  1  0.61  0.23  0.44  1.0
  Al  Al17  1  0.61  0.4  0.65  1.0
  Al  Al18  1  0.61  0.64  0.18  1.0
  Al  Al19  1  0.61  0.82  0.91  1.0
  Al  Al20  1  0.84  0.0  0.91  1.0
  Al  Al21  1  0.84  0.24  0.44  1.0
  Al  Al22  1  0.84  0.42  0.65  1.0
  Al  Al23  1  0.84  0.83  0.18  1.0

K K K K K K K K K K K K Al Al Al Al Al Al Al Al Al Al Al Al