data_K5Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   10.13
_cell_angle_alpha   109.21
_cell_angle_beta   109.21
_cell_angle_gamma   32.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Al
_chemical_formula_sum   'K5 Al1'
_cell_volume   350.86
_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
  K  K1  1  0.82  0.0  0.39  1.0
  K  K2  1  0.25  0.0  0.19  1.0
  K  K3  1  0.62  0.0  0.72  1.0
  K  K4  1  0.99  0.0  0.93  1.0
  K  K5  1  0.96  0.0  0.63  1.0
  Al  Al0  1  0.09  0.0  0.27  1.0

data_K5Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   8.26
_cell_length_c   10.13
_cell_angle_alpha   109.21
_cell_angle_beta   90.0
_cell_angle_gamma   106.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Al
_chemical_formula_sum   'K5 Al1'
_cell_volume   350.86
_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
  K  K0  1  0.0  0.01  0.07  1.0
  K  K1  1  0.0  0.04  0.37  1.0
  K  K2  1  0.0  0.18  0.61  1.0
  K  K3  1  0.0  0.38  0.28  1.0
  K  K4  1  0.0  0.75  0.81  1.0
  Al  Al5  1  0.0  0.91  0.73  1.0

K K K K K Al
K K K K K Al 0 4 o o o 1 5 o o o 1 3 - o - 2 4 o o o 2 3 o o o 3 4 o o o 3 5 + o + 