data_K4Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   132.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Sc
_chemical_formula_sum   'K4 Sc1'
_cell_volume   286.27
_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  K0  1  0.83  0.06  0.0  1.0
  K  K1  1  0.06  0.87  0.0  1.0
  K  K2  1  0.02  0.79  0.04  1.0
  K  K3  1  0.79  0.98  0.04  1.0
  Sc  Sc4  1  0.0  0.0  0.0  1.0

data_K4Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.08
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   80.55
_cell_angle_beta   66.1
_cell_angle_gamma   66.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Sc
_chemical_formula_sum   'K4 Sc1'
_cell_volume   286.27
_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  K0  1  0.06  0.77  -0.0  1.0
  K  K1  1  0.79  0.23  0.96  1.0
  K  K2  1  0.87  0.19  -0.0  1.0
  K  K3  1  0.98  0.81  0.96  1.0
  Sc  Sc4  1  0.0  0.0  0.0  1.0

K K K K Sc
K K K K Sc 0 3 o - o 0 4 + o o 1 2 o o o 1 4 o + o 3 4 + + o 
K4Sc is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one K4Sc cluster. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one K(4) and one Sc(1) atom. The K(1)-K(4) bond length is 0.62 Å. The K(1)-Sc(1) bond length is 1.60 Å. In the second K site, K(2) is bonded in a bent 120 degrees geometry to one K(3) and one Sc(1) atom. The K(2)-K(3) bond length is 0.62 Å. The K(2)-Sc(1) bond length is 1.33 Å. In the third K site, K(3) is bonded in a single-bond geometry to one K(2) atom. In the fourth K site, K(4) is bonded in an L-shaped geometry to one K(1) and one Sc(1) atom. The K(4)-Sc(1) bond length is 1.57 Å. Sc(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one K(4) atom.