data_La2ScB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScB
_chemical_formula_sum   'La2 Sc1 B1'
_cell_volume   97.45
_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
  La  La1  1  0.0  0.59  0.81  1.0
  La  La2  1  0.59  0.0  0.81  1.0
  Sc  Sc3  1  0.59  0.59  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_La2ScB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ScB
_chemical_formula_sum   'La4 Sc2 B2'
_cell_volume   194.9
_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
  La  La0  4  0.3  0.3  0.81  1.0
  Sc  Sc1  2  0.09  0.5  0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

La La Sc B
La2ScB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2ScB clusters. La(1) is bonded in a 2-coordinate geometry to one Sc(1) and one B(1) atom. The La(1)-Sc(1) bond length is 2.22 Å. The La(1)-B(1) bond length is 2.22 Å. Sc(1) is bonded in a 2-coordinate geometry to two equivalent La(1) atoms. B(1) is bonded in a 2-coordinate geometry to two equivalent La(1) atoms.