data_K3AlH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.9
_cell_length_b   14.73
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3AlH6
_chemical_formula_sum   'K12 Al4 H24'
_cell_volume   602.59
_cell_formula_units_Z   4
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  K28  1  0.9  0.1  0.0  1.0
  K  K29  1  0.01  0.63  0.0  1.0
  K  K30  1  0.46  0.46  0.59  1.0
  K  K31  1  0.44  0.27  0.59  1.0
  K  K32  1  0.21  0.14  0.0  1.0
  K  K33  1  0.69  0.59  0.0  1.0
  K  K34  1  0.24  0.78  0.59  1.0
  K  K35  1  0.66  0.95  0.59  1.0
  K  K36  1  0.01  0.49  0.0  1.0
  K  K37  1  0.89  0.24  0.0  1.0
  K  K38  1  0.35  0.12  0.59  1.0
  K  K39  1  0.56  0.61  0.59  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.45  0.0  0.59  1.0
  Al  Al2  1  0.45  0.36  0.59  1.0
  Al  Al3  1  0.0  0.36  0.0  1.0
  H  H4  1  0.12  0.26  0.59  1.0
  H  H5  1  0.24  0.17  0.0  1.0
  H  H6  1  0.66  0.56  0.0  1.0
  H  H7  1  0.12  0.53  0.59  1.0
  H  H8  1  0.79  0.2  0.59  1.0
  H  H9  1  0.71  0.58  0.0  1.0
  H  H10  1  0.2  0.15  0.0  1.0
  H  H11  1  0.65  0.21  0.59  1.0
  H  H12  1  0.26  0.52  0.59  1.0
  H  H13  1  0.19  0.2  0.0  1.0
  H  H14  1  0.72  0.53  0.0  1.0
  H  H15  1  0.17  0.84  0.59  1.0
  H  H16  1  0.73  0.89  0.59  1.0
  H  H17  1  0.41  0.53  0.0  1.0
  H  H18  1  0.49  0.2  0.0  1.0
  H  H19  1  0.94  0.9  0.59  1.0
  H  H20  1  0.96  0.83  0.59  1.0
  H  H21  1  0.61  0.68  0.0  1.0
  H  H22  1  0.29  0.05  0.0  1.0
  H  H23  1  0.74  0.32  0.59  1.0
  H  H24  1  0.16  0.41  0.59  1.0
  H  H25  1  0.58  0.11  0.0  1.0
  H  H26  1  0.33  0.62  0.0  1.0
  H  H27  1  0.78  0.47  0.59  1.0

data_K3AlH6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   12.9
_cell_length_c   14.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3AlH6
_chemical_formula_sum   'K12 Al4 H24'
_cell_volume   602.59
_cell_formula_units_Z   4
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  0.89  0.24  1.0
  K  K1  1  -0.0  0.01  0.49  1.0
  K  K2  1  -0.0  0.9  0.1  1.0
  K  K3  1  -0.0  0.21  0.14  1.0
  K  K4  1  -0.0  0.69  0.59  1.0
  K  K5  1  -0.0  0.01  0.63  1.0
  K  K6  1  0.59  0.24  0.78  1.0
  K  K7  1  0.59  0.35  0.12  1.0
  K  K8  1  0.59  0.44  0.27  1.0
  K  K9  1  0.59  0.46  0.46  1.0
  K  K10  1  0.59  0.56  0.61  1.0
  K  K11  1  0.59  0.66  0.95  1.0
  Al  Al12  1  -0.0  0.0  0.36  1.0
  Al  Al13  1  0.0  0.0  0.0  1.0
  Al  Al14  1  0.59  0.45  0.0  1.0
  Al  Al15  1  0.59  0.45  0.36  1.0
  H  H16  1  -0.0  0.49  0.2  1.0
  H  H17  1  -0.0  0.33  0.62  1.0
  H  H18  1  -0.0  0.41  0.53  1.0
  H  H19  1  -0.0  0.24  0.17  1.0
  H  H20  1  -0.0  0.19  0.2  1.0
  H  H21  1  -0.0  0.2  0.15  1.0
  H  H22  1  -0.0  0.29  0.05  1.0
  H  H23  1  -0.0  0.61  0.68  1.0
  H  H24  1  -0.0  0.71  0.58  1.0
  H  H25  1  -0.0  0.72  0.53  1.0
  H  H26  1  -0.0  0.66  0.56  1.0
  H  H27  1  -0.0  0.58  0.11  1.0
  H  H28  1  0.59  0.12  0.53  1.0
  H  H29  1  0.59  0.12  0.26  1.0
  H  H30  1  0.59  0.16  0.41  1.0
  H  H31  1  0.59  0.17  0.84  1.0
  H  H32  1  0.59  0.26  0.52  1.0
  H  H33  1  0.59  0.65  0.21  1.0
  H  H34  1  0.59  0.73  0.89  1.0
  H  H35  1  0.59  0.74  0.32  1.0
  H  H36  1  0.59  0.78  0.47  1.0
  H  H37  1  0.59  0.79  0.2  1.0
  H  H38  1  0.59  0.94  0.9  1.0
  H  H39  1  0.59  0.96  0.83  1.0

K K K K K K K K K K K K Al Al Al Al H H H H H H H H H H H H H H H H H H H H H H H H
K K K K K K K K K K K K Al Al Al Al H H H H H H H H H H H H H H H H H H H H H H H H 0 9 o o o 0 12 + o o 1 19 o o - 1 8 o o o 2 14 o o o 2 29 o o + 3 14 o o o 3 10 o o o 3 30 o o + 4 22 o o o 4 10 o o - 4 17 o o o 4 25 o o o 4 34 o o o 5 21 o o o 5 11 o o - 5 18 o o o 5 26 o o o 5 33 o o o 6 27 o o o 7 28 o o o 7 13 o + o 8 15 o o o 8 19 o o - 9 20 o o - 9 20 o o o 9 15 + o o 10 34 o o o 10 34 o o + 10 17 o o o 10 17 o o + 10 22 o o + 10 13 o o o 11 18 o o o 11 18 o o + 11 21 o o + 11 33 o o o 11 33 o o + 12 31 - - - 13 34 o o o 13 34 o o + 13 37 o o o 13 37 o o + 16 25 o o o 16 25 o o + 17 25 o o o 17 34 o o o 18 26 o o o 18 33 o o o 19 36 o o o 19 24 o o o 20 35 o o o 20 23 o o o 21 26 o o o 21 33 o o o 22 25 o o o 22 34 o o o 23 37 o o + 23 35 o o o 24 36 o o o 24 38 o o + 26 39 o o o 26 39 o o - 29 38 o o o 30 37 o o o 31 32 o o o 