data_In2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   136.78
_cell_angle_beta   136.78
_cell_angle_gamma   62.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnSe
_chemical_formula_sum   'In2 Sn1 Se1'
_cell_volume   106.12
_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  0.22  1.0
  In  In1  1  0.0  0.25  0.61  1.0
  Sn  Sn3  1  0.25  0.0  0.61  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_In2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.12
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnSe
_chemical_formula_sum   'In2 Sn1 Se1'
_cell_volume   106.12
_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  0.22  0.22  0.22  1.0
  In  In1  1  0.36  0.61  0.36  1.0
  Sn  Sn2  1  0.61  0.36  0.36  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

In In Sn Se
In2SnSe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one In2SnSe cluster. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to one In(2), one Sn(1), and one Se(1) atom. The In(1)-In(2) bond length is 1.64 Å. The In(1)-Sn(1) bond length is 1.64 Å. The In(1)-Se(1) bond length is 1.37 Å. In the second In site, In(2) is bonded in a 2-coordinate geometry to one In(1) and one Sn(1) atom. The In(2)-Sn(1) bond length is 1.62 Å. Sn(1) is bonded in a 2-coordinate geometry to one In(1) and one In(2) atom. Se(1) is bonded in a single-bond geometry to one In(1) atom.