data_ZnInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInSe2
_chemical_formula_sum   'Zn1 In1 Se2'
_cell_volume   86.24
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.55  1.0
  Se  Se1  1  0.74  0.74  0.53  1.0
  Se  Se2  1  0.74  0.74  0.57  1.0

data_ZnInSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnInSe2
_chemical_formula_sum   'Zn2 In2 Se4'
_cell_volume   172.47
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.55  1.0
  Se  Se2  2  0.24  0.5  0.53  1.0
  Se  Se3  2  0.24  0.5  0.57  1.0

Zn In Se Se
ZnInSe2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZnInSe2 clusters. Zn(1) is bonded in a single-bond geometry to one In(1) atom. The Zn(1)-In(1) bond length is 3.20 Å. In(1) is bonded in a 2-coordinate geometry to one Zn(1), one Se(1), and one Se(2) atom. The In(1)-Se(1) bond length is 1.28 Å. The In(1)-Se(2) bond length is 1.28 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one In(1) and one Se(2) atom. The Se(1)-Se(2) bond length is 0.30 Å. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one In(1) and one Se(1) atom.