data_ScBeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeSb2
_chemical_formula_sum   'Sc1 Be1 Sb2'
_cell_volume   83.46
_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
  Sc  Sc3  1  0.32  0.32  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.32  0.93  1.0
  Sb  Sb2  1  0.32  0.0  0.93  1.0

data_ScBeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeSb2
_chemical_formula_sum   'Sc2 Be2 Sb4'
_cell_volume   166.93
_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
  Sc  Sc0  2  0.32  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.16  0.16  0.93  1.0

Sc Be Sb Sb
Sc Be Sb Sb 0 2 o o - 0 3 o o - 1 3 o o - 1 2 o o - 
BeScSb2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeScSb2 clusters. Be(1) is bonded in an L-shaped geometry to two equivalent Sb(1) atoms. Both Be(1)-Sb(1) bond lengths are 1.52 Å. Sc(1) is bonded in an L-shaped geometry to two equivalent Sb(1) atoms. Both Sc(1)-Sb(1) bond lengths are 1.52 Å. Sb(1) is bonded in an L-shaped geometry to one Be(1) and one Sc(1) atom.