data_K2RbAlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2RbAlF6
_chemical_formula_sum   'K2 Rb1 Al1 F6'
_cell_volume   178.23
_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  0.7  0.7  0.7  1.0
  K  K1  1  0.23  0.23  0.23  1.0
  Rb  Rb2  1  0.47  0.47  0.47  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0
  F  F4  1  0.84  0.47  0.47  1.0
  F  F5  1  0.47  0.47  0.84  1.0
  F  F6  1  0.1  0.47  0.47  1.0
  F  F7  1  0.47  0.84  0.47  1.0
  F  F8  1  0.47  0.1  0.47  1.0
  F  F9  1  0.47  0.47  0.1  1.0

data_K2RbAlF6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   15.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2RbAlF6
_chemical_formula_sum   'K6 Rb3 Al3 F18'
_cell_volume   534.68
_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  0.3  1.0
  Rb  Rb1  3  0.0  0.0  0.53  1.0
  K  K2  3  0.0  0.0  0.77  1.0
  Al  Al3  3  0.0  0.0  0.0  1.0
  F  F4  9  0.09  0.54  0.08  1.0
  F  F5  9  0.21  0.42  0.32  1.0

K K Rb Al F F F F F F
K K Rb Al F F F F F F 0 5 o o o 0 9 o o + 0 8 o + o 0 7 o o o 0 6 + o o 0 4 o o o 0 3 + + o 0 3 + o + 0 3 o + + 1 6 o o o 1 4 - o o 1 8 o o o 1 7 o - o 1 5 o o - 1 9 o o o 1 3 o o o 2 8 o o o 2 6 o o o 2 9 o o o 2 7 o o o 2 5 o o o 2 4 o o o 3 6 o - o 3 6 o o - 3 7 - - o 3 7 o - - 3 4 - - o 3 4 - o - 3 5 - o - 3 5 o - - 3 9 - o o 3 9 o - o 3 8 - o o 3 8 o o - 4 6 + o o 5 9 o o + 7 8 o + o 
RbK2AlF6 crystallizes in the trigonal R3m space group. Rb(1) is bonded in a hexagonal planar geometry to three equivalent F(1) and three equivalent F(2) atoms. All Rb(1)-F(1) bond lengths are 2.33 Å. All Rb(1)-F(2) bond lengths are 2.33 Å. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent F(1) and three equivalent F(2) atoms. All K(1)-F(1) bond lengths are 2.17 Å. All K(1)-F(2) bond lengths are 2.33 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Al(1), three equivalent F(1), and three equivalent F(2) atoms. The K(2)-Al(1) bond length is 3.61 Å. All K(2)-F(1) bond lengths are 2.33 Å. All K(2)-F(2) bond lengths are 2.17 Å. Al(1) is bonded in a single-bond geometry to one K(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Rb(1), one K(1), one K(2), and one F(2) atom. The F(1)-F(2) bond length is 1.66 Å. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Rb(1), one K(1), one K(2), and one F(1) atom.