data_KSc2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2In
_chemical_formula_sum   'K1 Sc2 In1'
_cell_volume   109.81
_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  0.44  0.3  1.0
  Sc  Sc3  1  0.44  0.0  0.3  1.0
  In  In0  1  0.44  0.44  0.0  1.0

data_KSc2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSc2In
_chemical_formula_sum   'K2 Sc4 In2'
_cell_volume   219.63
_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  4  0.22  0.22  0.3  1.0
  In  In2  2  0.44  0.0  0.0  1.0

K Sc Sc In
K Sc Sc In 0 2 - o o 0 2 o o o 0 1 o - o 0 1 o o o 0 3 o o o 1 3 - o o 1 3 o o o 1 2 o o o 2 3 o - o 2 3 o o o 
KSc2In crystallizes in the monoclinic Cm space group. K(1) is bonded in a 12-coordinate geometry to eight equivalent Sc(1) and four equivalent In(1) atoms. There are a spread of K(1)-Sc(1) bond distances ranging from 2.57-4.22 Å. There are a spread of K(1)-In(1) bond distances ranging from 3.07-3.84 Å. Sc(1) is bonded in a 4-coordinate geometry to four equivalent K(1) and two equivalent In(1) atoms. There is one shorter (2.57 Å) and one longer (3.04 Å) Sc(1)-In(1) bond length. In(1) is bonded in a 2-coordinate geometry to four equivalent K(1) and four equivalent Sc(1) atoms.