data_ScB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   141.35
_cell_angle_beta   141.35
_cell_angle_gamma   55.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2Sb
_chemical_formula_sum   'Sc1 B2 Sb1'
_cell_volume   56.65
_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  0.0  0.0  0.66  1.0
  B  B0  1  0.0  0.74  0.33  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.74  0.0  0.33  1.0

data_ScB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   5.27
_cell_angle_alpha   109.33
_cell_angle_beta   109.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2Sb
_chemical_formula_sum   'Sc1 B2 Sb1'
_cell_volume   56.65
_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  Sc0  1  0.34  0.0  0.34  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.42  0.74  0.42  1.0
  Sb  Sb3  1  0.67  0.0  0.42  1.0

Sc B B Sb
Sc B B Sb 0 3 - o o 0 1 o - o 0 2 o o + 1 3 - + o 