data_Sn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.02
_cell_length_b   12.02
_cell_length_c   12.02
_cell_angle_alpha   161.2
_cell_angle_beta   161.08
_cell_angle_gamma   26.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Sb
_chemical_formula_sum   'Sn4 Sb2'
_cell_volume   181.36
_cell_formula_units_Z   2
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  Sn2  1  0.96  0.01  0.39  1.0
  Sn  Sn3  1  0.0  0.96  0.3  1.0
  Sn  Sn4  1  0.96  0.01  0.18  1.0
  Sn  Sn5  1  0.0  0.96  0.51  1.0
  Sb  Sb0  1  0.0  0.99  0.79  1.0
  Sb  Sb1  1  0.96  0.99  0.9  1.0

data_Sn2Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   3.95
_cell_length_c   12.02
_cell_angle_alpha   99.46
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn2Sb
_chemical_formula_sum   'Sn4 Sb2'
_cell_volume   181.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Sn0  2  0.02  0.98  0.96  1.0
  Sn  Sn1  2  0.02  0.19  0.17  1.0
  Sb  Sb2  2  0.0  0.55  0.57  1.0

Sn Sn Sn Sn Sb Sb
Sn Sn Sn Sn Sb Sb 0 1 + - o 0 3 + - o 1 2 - + o 4 5 - o o 