data_K2AlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.8
_cell_length_c   9.8
_cell_angle_alpha   28.35
_cell_angle_beta   28.35
_cell_angle_gamma   28.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K2 Al1 In1'
_cell_volume   187.27
_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  K2  1  0.0  0.0  0.13  1.0
  K  K3  1  0.0  0.0  0.92  1.0
  Al  Al0  1  0.0  0.0  0.92  1.0
  In  In1  1  0.0  0.0  0.32  1.0

data_K2AlIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.31
_cell_length_b   4.8
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K4 Al2 In2'
_cell_volume   374.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.08  1.0
  K  K1  2  0.0  0.0  0.87  1.0
  Al  Al2  2  0.0  0.0  0.08  1.0
  In  In3  2  0.0  0.0  0.68  1.0

K K Al In 0 2 o o - 0 1 o o - 0 3 o o o 1 2 o o o 
K2InAl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two K2InAl clusters. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to one In(1) and one Al(1) atom. The K(1)-In(1) bond length is 1.91 Å. The K(1)-Al(1) bond length is 2.05 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Al(1) atom. The K(2)-Al(1) bond length is 0.00 Å. In(1) is bonded in a single-bond geometry to one K(1) atom. Al(1) is bonded in a distorted linear geometry to one K(1) and one K(2) atom.