data_K2NaAlH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NaAlH6
_chemical_formula_sum   'K2 Na1 Al1 H6'
_cell_volume   125.31
_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  K7  1  0.99  0.99  0.99  1.0
  K  K8  1  0.96  0.96  0.96  1.0
  Na  Na9  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.97  0.97  0.97  1.0
  H  H1  1  0.97  0.21  0.97  1.0
  H  H2  1  0.73  0.97  0.97  1.0
  H  H3  1  0.97  0.97  0.73  1.0
  H  H4  1  0.97  0.97  0.21  1.0
  H  H5  1  0.21  0.97  0.97  1.0
  H  H6  1  0.97  0.73  0.97  1.0

data_K2NaAlH6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   13.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2NaAlH6
_chemical_formula_sum   'K6 Na3 Al3 H18'
_cell_volume   375.94
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.01  1.0
  K  K1  3  0.0  0.0  0.04  1.0
  Na  Na2  3  0.0  0.0  0.0  1.0
  Al  Al3  3  0.0  0.0  0.03  1.0
  H  H4  9  0.08  0.16  0.95  1.0
  H  H5  9  0.16  0.08  0.11  1.0

K K Na Al H H H H H H
K K Na Al H H H H H H 0 3 o o o 0 2 + + + 0 4 o + o 0 5 o o o 0 6 o o o 0 7 o o + 0 8 + o o 0 9 o o o 1 3 o o o 1 5 o o o 1 6 o o o 1 9 o o o 2 4 - o - 2 7 - - o 2 8 o - - 3 4 o + o 3 5 o o o 3 6 o o o 3 7 o o + 3 8 + o o 3 9 o o o 4 7 o - + 4 8 + - o 5 9 o o o 5 6 o o o 6 9 o o o 7 8 + o - 