data_K5Al24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   9.19
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Al24
_chemical_formula_sum   'K5 Al24'
_cell_volume   598.28
_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  K24  1  0.42  0.58  0.42  1.0
  K  K25  1  0.58  0.42  0.42  1.0
  K  K26  1  0.42  0.42  0.58  1.0
  K  K27  1  0.89  0.89  0.89  1.0
  K  K28  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.01  0.99  0.17  1.0
  Al  Al1  1  0.99  0.01  0.17  1.0
  Al  Al2  1  0.01  0.01  0.45  1.0
  Al  Al3  1  0.29  0.29  0.14  1.0
  Al  Al4  1  0.01  0.45  0.01  1.0
  Al  Al5  1  0.29  0.14  0.29  1.0
  Al  Al6  1  0.99  0.17  0.01  1.0
  Al  Al7  1  0.01  0.17  0.99  1.0
  Al  Al8  1  0.17  0.99  0.01  1.0
  Al  Al9  1  0.17  0.01  0.99  1.0
  Al  Al10  1  0.14  0.29  0.29  1.0
  Al  Al11  1  0.45  0.01  0.01  1.0
  Al  Al12  1  0.51  0.49  0.69  1.0
  Al  Al13  1  0.49  0.51  0.69  1.0
  Al  Al14  1  0.82  0.82  0.62  1.0
  Al  Al15  1  0.49  0.49  0.93  1.0
  Al  Al16  1  0.82  0.62  0.82  1.0
  Al  Al17  1  0.49  0.93  0.49  1.0
  Al  Al18  1  0.49  0.69  0.51  1.0
  Al  Al19  1  0.51  0.69  0.49  1.0
  Al  Al20  1  0.69  0.49  0.51  1.0
  Al  Al21  1  0.69  0.51  0.49  1.0
  Al  Al22  1  0.93  0.49  0.49  1.0
  Al  Al23  1  0.62  0.82  0.82  1.0

data_K5Al24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.01
_cell_length_b   15.01
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K5Al24
_chemical_formula_sum   'K15 Al72'
_cell_volume   1794.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.1  0.05  0.47  1.0
  K  K1  3  0.0  0.0  -0.0  1.0
  K  K2  3  0.0  0.0  0.89  1.0
  Al  Al3  18  0.11  0.04  0.06  1.0
  Al  Al4  18  0.13  0.06  0.56  1.0
  Al  Al5  9  0.05  0.1  0.24  1.0
  Al  Al6  9  0.07  0.13  0.75  1.0
  Al  Al7  9  0.19  0.38  0.83  1.0
  Al  Al8  9  0.19  0.38  0.3  1.0

K K K K K Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al
K K K K K Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al 0 24 o o o 0 23 o o o 0 8 o o o 0 15 o o o 1 26 o o o 1 25 o o o 1 8 o o o 1 10 o o o 2 18 o o o 2 17 o o o 2 10 o o o 2 15 o o o 3 4 + + + 3 19 o o o 3 21 o o o 3 28 o o o 4 8 o o o 4 10 o o o 4 15 o o o 5 6 - + o 5 7 o + o 5 10 o + o 5 15 o + o 6 7 + o o 6 10 + o o 6 15 + o o 8 12 o o - 8 11 - o o 8 15 o o o 8 14 o o - 8 10 o o o 8 13 o - o 9 12 o o - 9 11 - o o 10 14 o o - 10 13 o - o 10 15 o o o 11 12 + o - 11 15 + o o 12 15 o o + 13 14 o + - 13 16 o + o 14 16 o o + 17 18 o o o 17 20 o o o 17 21 o o o 17 28 o o o 18 20 o o o 18 21 o o o 18 28 o o o 19 24 o o o 19 23 o o o 19 26 o o o 19 25 o o o 21 26 o o o 21 25 o o o 22 24 o o o 22 23 o o o 23 24 o o o 23 28 o o o 24 28 o o o 25 26 o o o 25 27 o o o 26 27 o o o 