data_SiB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.36
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Sb
_chemical_formula_sum   'Si1 B2 Sb1'
_cell_volume   58.4
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.13  0.68  0.5  1.0
  B  B1  1  0.38  0.68  0.3  1.0
  Sb  Sb2  1  0.76  0.0  0.4  1.0

data_SiB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.62
_cell_length_c   4.8
_cell_angle_alpha   91.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Sb
_chemical_formula_sum   'Si1 B2 Sb1'
_cell_volume   58.4
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.32  0.62  0.7  1.0
  B  B2  1  0.32  0.87  0.5  1.0
  Sb  Sb3  1  0.0  0.24  0.6  1.0

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