data_YInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.3
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInSe2
_chemical_formula_sum   'Y1 In1 Se2'
_cell_volume   98.3
_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
  Y  Y3  1  0.67  0.0  0.52  1.0
  In  In0  1  0.93  0.15  0.79  1.0
  Se  Se1  1  0.82  0.0  0.88  1.0
  Se  Se2  1  0.73  0.15  0.83  1.0

data_YInSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.3
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInSe2
_chemical_formula_sum   'Y1 In1 Se2'
_cell_volume   98.3
_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
  Y  Y0  1  0.67  0.0  0.52  1.0
  In  In1  1  0.93  0.15  0.79  1.0
  Se  Se2  1  0.73  0.15  0.83  1.0
  Se  Se3  1  0.82  0.0  0.88  1.0

Y In Se Se
Y In Se Se 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
YInSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YInSe2 cluster. Y(1) is bonded in a 3-coordinate geometry to one In(1), one Se(1), and one Se(2) atom. The Y(1)-In(1) bond length is 1.71 Å. The Y(1)-Se(1) bond length is 2.01 Å. The Y(1)-Se(2) bond length is 1.87 Å. In(1) is bonded in a 3-coordinate geometry to one Y(1), one Se(1), and one Se(2) atom. The In(1)-Se(1) bond length is 1.01 Å. The In(1)-Se(2) bond length is 0.92 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 2-coordinate geometry to one Y(1), one In(1), and one Se(2) atom. The Se(1)-Se(2) bond length is 0.75 Å. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Y(1), one In(1), and one Se(1) atom.