data_K2LiAlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   33.38
_cell_angle_beta   33.38
_cell_angle_gamma   33.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiAlF6
_chemical_formula_sum   'K4 Li2 Al2 F12'
_cell_volume   231.79
_cell_formula_units_Z   2
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  K14  1  0.0  0.0  0.61  1.0
  K  K15  1  0.0  0.0  0.49  1.0
  K  K16  1  0.0  0.0  0.42  1.0
  K  K17  1  0.0  0.0  0.3  1.0
  Li  Li18  1  0.0  0.0  0.04  1.0
  Li  Li19  1  0.0  0.0  0.87  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.46  1.0
  F  F2  1  0.44  0.17  0.9  1.0
  F  F3  1  0.56  0.17  0.9  1.0
  F  F4  1  0.0  0.67  0.9  1.0
  F  F5  1  0.0  0.55  0.53  1.0
  F  F6  1  0.26  0.73  0.53  1.0
  F  F7  1  0.74  0.73  0.53  1.0
  F  F8  1  0.26  0.27  0.38  1.0
  F  F9  1  0.74  0.27  0.38  1.0
  F  F10  1  0.0  0.45  0.38  1.0
  F  F11  1  0.0  0.33  0.01  1.0
  F  F12  1  0.44  0.83  0.01  1.0
  F  F13  1  0.56  0.83  0.01  1.0

data_K2LiAlF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   9.51
_cell_angle_alpha   73.31
_cell_angle_beta   73.31
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiAlF6
_chemical_formula_sum   'K4 Li2 Al2 F12'
_cell_volume   231.79
_cell_formula_units_Z   2
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  0.39  0.61  1.0
  K  K1  1  0.0  0.51  0.49  1.0
  K  K2  1  0.0  0.58  0.42  1.0
  K  K3  1  0.0  0.7  0.3  1.0
  Li  Li4  1  0.0  0.13  0.87  1.0
  Li  Li5  1  0.0  0.96  0.04  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  Al  Al7  1  0.0  0.54  0.46  1.0
  F  F8  1  0.17  0.99  0.29  1.0
  F  F9  1  0.17  0.99  0.4  1.0
  F  F10  1  0.27  0.47  0.52  1.0
  F  F11  1  0.27  0.47  0.0  1.0
  F  F12  1  0.33  0.1  0.57  1.0
  F  F13  1  0.45  0.47  0.08  1.0
  F  F14  1  0.55  0.62  0.83  1.0
  F  F15  1  0.67  0.99  0.34  1.0
  F  F16  1  0.73  0.62  0.91  1.0
  F  F17  1  0.73  0.62  0.39  1.0
  F  F18  1  0.83  0.1  0.51  1.0
  F  F19  1  0.83  0.1  0.63  1.0

K K K K Li Li Al Al F F F F F F F F F F F F