data_KSc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73
_cell_length_b   11.73
_cell_length_c   11.73
_cell_angle_alpha   17.03
_cell_angle_beta   17.03
_cell_angle_gamma   17.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2In
_chemical_formula_sum   'K1 Sc2 In1'
_cell_volume   120.9
_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
  Sc  Sc2  1  0.0  0.0  0.1  1.0
  Sc  Sc3  1  0.0  0.0  0.58  1.0
  In  In0  1  0.0  0.0  0.34  1.0

data_KSc2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.48
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   99.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSc2In
_chemical_formula_sum   'K2 Sc4 In2'
_cell_volume   241.8
_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  0.0  1.0
  Sc  Sc1  2  -0.0  0.0  0.9  1.0
  Sc  Sc2  2  -0.0  0.0  0.42  1.0
  In  In3  2  0.0  0.0  0.66  1.0

K Sc Sc In
KSc2In crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KSc2In clusters. K(1) is bonded in a single-bond geometry to one Sc(1) atom. The K(1)-Sc(1) bond length is 1.15 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one K(1) and one In(1) atom. The Sc(1)-In(1) bond length is 2.84 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one In(1) atom. The Sc(2)-In(1) bond length is 2.84 Å. In(1) is bonded in a linear geometry to one Sc(1) and one Sc(2) atom.