data_Sn3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.83
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Sb
_chemical_formula_sum   'Sn3 Sb1'
_cell_volume   111.82
_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  Sn1  1  0.7  0.42  0.71  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.7  0.42  0.08  1.0
  Sb  Sb0  1  0.0  0.0  0.4  1.0

data_Sn3Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.83
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Sb
_chemical_formula_sum   'Sn3 Sb1'
_cell_volume   111.82
_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  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.7  0.42  0.08  1.0
  Sn  Sn2  1  0.7  0.42  0.71  1.0
  Sb  Sb3  1  0.0  0.0  0.4  1.0

Sn Sn Sn Sb
Sn3Sb crystallizes in the triclinic P1 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Sn(3) and one Sb(1) atom. The Sn(1)-Sn(3) bond length is 2.48 Å. The Sn(1)-Sb(1) bond length is 3.12 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent Sn(3) and one Sb(1) atom. There are a spread of Sn(2)-Sn(3) bond distances ranging from 2.32-3.17 Å. The Sn(2)-Sb(1) bond length is 2.70 Å. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent Sn(3), three equivalent Sn(2), and one Sb(1) atom. Both Sn(3)-Sn(3) bond lengths are 3.40 Å. The Sn(3)-Sb(1) bond length is 3.12 Å. Sb(1) is bonded in a 5-coordinate geometry to one Sn(1), one Sn(2), one Sn(3), and two equivalent Sb(1) atoms. Both Sb(1)-Sb(1) bond lengths are 3.40 Å.