data_ScBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   143.32
_cell_angle_beta   123.55
_cell_angle_gamma   69.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBSb2
_chemical_formula_sum   'Sc1 B1 Sb2'
_cell_volume   78.68
_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  0.47  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.71  0.0  0.7  1.0
  Sb  Sb2  1  0.0  0.57  0.77  1.0

data_ScBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.14
_cell_length_c   5.44
_cell_angle_alpha   118.22
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBSb2
_chemical_formula_sum   'Sc1 B1 Sb2'
_cell_volume   78.68
_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  0.0  0.47  0.47  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.7  0.99  1.0
  Sb  Sb3  1  0.43  0.2  0.2  1.0

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