data_SnB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnB2Sb
_chemical_formula_sum   'Sn1 B2 Sb1'
_cell_volume   74.1
_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
  Sn  Sn3  1  0.0  0.0  0.23  1.0
  B  B0  1  0.61  0.61  0.44  1.0
  B  B1  1  0.0  0.0  0.41  1.0
  Sb  Sb2  1  0.61  0.61  0.69  1.0

data_SnB2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnB2Sb
_chemical_formula_sum   'Sn2 B4 Sb2'
_cell_volume   148.2
_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
  Sn  Sn0  2  0.0  0.0  0.23  1.0
  B  B1  2  0.0  0.0  0.41  1.0
  B  B2  2  0.11  0.5  0.44  1.0
  Sb  Sb3  2  0.11  0.5  0.69  1.0

Sn B B Sb
Sn B B Sb 0 2 o o o 1 2 + + o 1 3 o o o 