data_InSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn3
_chemical_formula_sum   'In1 Sn3'
_cell_volume   109.9
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.54  1.0
  Sn  Sn2  1  0.69  0.98  0.77  1.0
  Sn  Sn3  1  0.69  0.98  0.3  1.0

data_InSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn3
_chemical_formula_sum   'In1 Sn3'
_cell_volume   109.9
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.54  1.0
  Sn  Sn2  1  0.69  0.98  0.3  1.0
  Sn  Sn3  1  0.69  0.98  0.77  1.0

In Sn Sn Sn
InSn3 crystallizes in the triclinic P1 space group. In(1) is bonded in a distorted single-bond geometry to one Sn(2) and one Sn(3) atom. The In(1)-Sn(2) bond length is 2.72 Å. The In(1)-Sn(3) bond length is 3.51 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Sn(2) and one Sn(3) atom. The Sn(1)-Sn(2) bond length is 2.78 Å. The Sn(1)-Sn(3) bond length is 2.78 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one In(1) and one Sn(1) atom. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one In(1), one Sn(1), and six equivalent Sn(3) atoms. All Sn(3)-Sn(3) bond lengths are 3.39 Å.