data_Rb2NaInF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2NaInF6
_chemical_formula_sum   'Rb2 Na1 In1 F6'
_cell_volume   173.91
_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
  Rb  Rb0  1  0.22  0.22  0.22  1.0
  Rb  Rb1  1  0.65  0.65  0.65  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.43  0.43  0.43  1.0
  F  F4  1  0.54  0.43  0.43  1.0
  F  F5  1  0.43  0.43  0.54  1.0
  F  F6  1  0.32  0.43  0.43  1.0
  F  F7  1  0.43  0.54  0.43  1.0
  F  F8  1  0.43  0.32  0.43  1.0
  F  F9  1  0.43  0.43  0.32  1.0

data_Rb2NaInF6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   15.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2NaInF6
_chemical_formula_sum   'Rb6 Na3 In3 F18'
_cell_volume   521.74
_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
  Rb  Rb0  3  0.0  0.0  0.35  1.0
  Rb  Rb1  3  0.0  0.0  0.78  1.0
  Na  Na2  3  0.0  0.0  0.0  1.0
  In  In3  3  0.0  0.0  0.57  1.0
  F  F4  9  0.04  0.07  0.53  1.0
  F  F5  9  0.07  0.04  0.61  1.0

Rb Rb Na In F F F F F F
Rb2NaInF6 crystallizes in the trigonal R3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to four equivalent Na(1), three equivalent F(1), and three equivalent F(2) atoms. There is one shorter (3.30 Å) and three longer (4.05 Å) Rb(1)-Na(1) bond lengths. All Rb(1)-F(1) bond lengths are 3.45 Å. All Rb(1)-F(2) bond lengths are 2.76 Å. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to three equivalent Na(1), three equivalent F(1), and three equivalent F(2) atoms. All Rb(2)-Na(1) bond lengths are 3.63 Å. All Rb(2)-F(1) bond lengths are 2.76 Å. All Rb(2)-F(2) bond lengths are 3.45 Å. Na(1) is bonded in a 7-coordinate geometry to three equivalent Rb(2) and four equivalent Rb(1) atoms. In(1) is bonded in a hexagonal planar geometry to three equivalent F(1) and three equivalent F(2) atoms. All In(1)-F(1) bond lengths are 0.70 Å. All In(1)-F(2) bond lengths are 0.70 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one In(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one In(1) atom.