data_KSc2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   9.84
_cell_angle_alpha   96.5
_cell_angle_beta   96.5
_cell_angle_gamma   50.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Be
_chemical_formula_sum   'K1 Sc2 Be1'
_cell_volume   122.83
_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  0.04  0.0  0.88  1.0
  Sc  Sc2  1  0.1  0.0  0.29  1.0
  Sc  Sc3  1  0.99  0.0  0.47  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_KSc2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.04
_cell_length_c   9.84
_cell_angle_alpha   96.5
_cell_angle_beta   90.0
_cell_angle_gamma   115.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Be
_chemical_formula_sum   'K1 Sc2 Be1'
_cell_volume   122.83
_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  0.96  0.12  1.0
  Sc  Sc1  1  0.0  0.01  0.53  1.0
  Sc  Sc2  1  0.0  0.9  0.71  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

K Sc Sc Be
KBeSc2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KBeSc2 cluster. K(1) is bonded in a single-bond geometry to one Be(1) atom. The K(1)-Be(1) bond length is 1.20 Å. Be(1) is bonded in a single-bond geometry to one K(1) and one Sc(1) atom. The Be(1)-Sc(1) bond length is 2.85 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Sc(2) atom. The Sc(1)-Sc(2) bond length is 1.87 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one Sc(1) atom.