data_KNa4In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa4In
_chemical_formula_sum   'K1 Na4 In1'
_cell_volume   212.86
_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  K1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.91  0.91  0.57  1.0
  Na  Na3  1  0.91  0.57  0.91  1.0
  Na  Na4  1  0.57  0.91  0.91  1.0
  Na  Na5  1  0.57  0.57  0.57  1.0
  In  In0  1  0.11  0.11  0.11  1.0

data_KNa4In
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   16.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNa4In
_chemical_formula_sum   'K3 Na12 In3'
_cell_volume   638.57
_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  0.0  1.0
  Na  Na1  9  0.22  0.44  0.87  1.0
  Na  Na2  3  0.0  0.0  0.43  1.0
  In  In3  3  0.0  0.0  0.89  1.0

K Na Na Na Na In
KNa4In crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to three equivalent Na(2) and one In(1) atom. All K(1)-Na(2) bond lengths are 4.17 Å. The K(1)-In(1) bond length is 1.78 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to three equivalent Na(2) and one In(1) atom. All Na(1)-Na(2) bond lengths are 3.87 Å. The Na(1)-In(1) bond length is 2.60 Å. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to three equivalent K(1) and nine equivalent Na(1) atoms. In(1) is bonded in a distorted trigonal pyramidal geometry to one K(1) and three equivalent Na(1) atoms.