data_KSrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.97
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrSc2
_chemical_formula_sum   'K1 Sr1 Sc2'
_cell_volume   142.49
_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  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.89  0.98  0.0  1.0
  Sc  Sc1  1  0.0  0.98  0.17  1.0
  Sc  Sc2  1  0.89  0.0  0.17  1.0

data_KSrSc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.97
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrSc2
_chemical_formula_sum   'K1 Sr1 Sc2'
_cell_volume   142.49
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.89  0.98  0.0  1.0
  Sc  Sc2  1  0.0  0.98  0.17  1.0
  Sc  Sc3  1  0.89  0.0  0.17  1.0

K Sr Sc Sc
K Sr Sc Sc 0 1 - - o 2 3 - + o 
KSrSc2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KSrSc2 cluster. K(1) is bonded in an L-shaped geometry to one Sr(1) and one Sc(1) atom. The K(1)-Sr(1) bond length is 0.44 Å. The K(1)-Sc(1) bond length is 1.06 Å. Sr(1) is bonded in an L-shaped geometry to one K(1) and one Sc(2) atom. The Sr(1)-Sc(2) bond length is 1.06 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an L-shaped geometry to one K(1) and one Sc(2) atom. The Sc(1)-Sc(2) bond length is 0.44 Å. In the second Sc site, Sc(2) is bonded in an L-shaped geometry to one Sr(1) and one Sc(1) atom.