data_KRb2YF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.75
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   124.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRb2YF6
_chemical_formula_sum   'K2 Rb4 Y2 F12'
_cell_volume   415.18
_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  0.73  0.37  0.68  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  Rb  Rb2  1  0.93  0.67  0.32  1.0
  Rb  Rb3  1  0.66  0.45  1.0  1.0
  Rb  Rb4  1  0.38  0.29  0.36  1.0
  Rb  Rb5  1  0.11  0.08  0.03  1.0
  Y  Y6  1  0.29  0.37  0.0  1.0
  Y  Y7  1  0.02  0.0  0.68  1.0
  F  F8  1  0.56  0.59  0.83  1.0
  F  F9  1  0.21  0.96  0.2  1.0
  F  F10  1  0.48  0.16  0.52  1.0
  F  F11  1  0.83  0.78  0.15  1.0
  F  F12  1  0.06  0.12  0.4  1.0
  F  F13  1  0.25  0.5  0.28  1.0
  F  F14  1  0.98  0.62  0.96  1.0
  F  F15  1  0.79  0.25  0.07  1.0
  F  F16  1  0.42  0.27  0.78  1.0
  F  F17  1  0.35  0.64  0.25  1.0
  F  F18  1  0.62  0.48  0.58  1.0
  F  F19  1  0.69  0.11  0.1  1.0

data_KRb2YF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   6.75
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRb2YF6
_chemical_formula_sum   'K2 Rb4 Y2 F12'
_cell_volume   415.18
_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  0.0  0.0  1.0
  Rb  Rb1  1  0.02  0.71  0.64  1.0
  K  K2  1  0.05  0.63  0.32  1.0
  Rb  Rb3  1  0.08  0.92  0.97  1.0
  Rb  Rb4  1  0.61  0.33  0.68  1.0
  Rb  Rb5  1  0.66  0.55  0.0  1.0
  Y  Y6  1  0.29  0.63  0.0  1.0
  Y  Y7  1  0.34  0.0  0.32  1.0
  F  F8  1  0.01  0.04  0.8  1.0
  F  F9  1  0.03  0.38  0.04  1.0
  F  F10  1  0.04  0.52  0.42  1.0
  F  F11  1  0.1  0.36  0.75  1.0
  F  F12  1  0.59  0.89  0.9  1.0
  F  F13  1  0.65  0.73  0.22  1.0
  F  F14  1  0.66  0.88  0.6  1.0
  F  F15  1  0.68  0.22  0.85  1.0
  F  F16  1  0.72  0.75  0.93  1.0
  F  F17  1  0.74  0.41  0.17  1.0
  F  F18  1  0.95  0.84  0.48  1.0
  F  F19  1  0.97  0.5  0.72  1.0

K K Rb Rb Rb Rb Y Y F F F F F F F F F F F F
Rb2KYF6 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted single-bond geometry to one F(4) and one F(5) atom. The Rb(1)-F(4) bond length is 1.81 Å. The Rb(1)-F(5) bond length is 3.18 Å. In the second Rb site, Rb(2) is bonded in a 2-coordinate geometry to one Y(1), one F(1), one F(7), one F(8), and one F(9) atom. The Rb(2)-Y(1) bond length is 2.52 Å. The Rb(2)-F(1) bond length is 1.87 Å. The Rb(2)-F(7) bond length is 2.68 Å. The Rb(2)-F(8) bond length is 1.58 Å. The Rb(2)-F(9) bond length is 2.40 Å. In the third Rb site, Rb(3) is bonded in a 2-coordinate geometry to one F(2), one F(3), one F(5), and one F(6) atom. The Rb(3)-F(2) bond length is 2.67 Å. The Rb(3)-F(3) bond length is 1.87 Å. The Rb(3)-F(5) bond length is 2.68 Å. The Rb(3)-F(6) bond length is 1.58 Å. In the fourth Rb site, Rb(4) is bonded in a 2-coordinate geometry to one K(2), one Y(1), and one F(2) atom. The Rb(4)-K(2) bond length is 0.81 Å. The Rb(4)-Y(1) bond length is 2.44 Å. The Rb(4)-F(2) bond length is 1.81 Å. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted single-bond geometry to one F(11), one F(3), one F(7), and one F(9) atom. The K(1)-F(11) bond length is 1.19 Å. The K(1)-F(3) bond length is 2.15 Å. The K(1)-F(7) bond length is 3.12 Å. The K(1)-F(9) bond length is 2.93 Å. In the second K site, K(2) is bonded in a 3-coordinate geometry to one Rb(4), one F(2), and one F(7) atom. The K(2)-F(2) bond length is 1.89 Å. The K(2)-F(7) bond length is 2.59 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(4), one F(12), and one F(7) atom. The Y(1)-F(12) bond length is 2.85 Å. The Y(1)-F(7) bond length is 2.44 Å. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to one F(9) atom. The Y(2)-F(9) bond length is 2.85 Å. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Rb(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Rb(3), one Rb(4), and one K(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Rb(3) and one K(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Rb(1) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Rb(1) and one Rb(3) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Rb(3) and one F(10) atom. The F(6)-F(10) bond length is 1.29 Å. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Rb(2), one K(1), one K(2), and one Y(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Rb(2) and one F(12) atom. The F(8)-F(12) bond length is 1.29 Å. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Rb(2), one K(1), and one Y(2) atom. In the tenth F site, F(10) is bonded in a 1-coordinate geometry to one F(6) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one K(1) atom. In the twelfth F site, F(12) is bonded in a distorted L-shaped geometry to one Y(1) and one F(8) atom.