data_Y2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnSe
_chemical_formula_sum   'Y2 Sn1 Se1'
_cell_volume   102.19
_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  Y2  1  0.7  0.0  0.75  1.0
  Y  Y3  1  0.0  0.7  0.75  1.0
  Sn  Sn1  1  0.7  0.7  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Y2SnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2SnSe
_chemical_formula_sum   'Y4 Sn2 Se2'
_cell_volume   204.38
_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
  Y  Y0  4  0.35  0.35  0.75  1.0
  Sn  Sn1  2  0.2  0.5  -0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Y Y Sn Se
Y Y Sn Se 0 2 o - + 0 3 + o + 1 2 - o + 1 3 o + + 
Y2SnSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2SnSe clusters. Y(1) is bonded in a 2-coordinate geometry to one Sn(1) and one Se(1) atom. The Y(1)-Sn(1) bond length is 1.83 Å. The Y(1)-Se(1) bond length is 1.83 Å. Sn(1) is bonded in a 2-coordinate geometry to two equivalent Y(1) atoms. Se(1) is bonded in a 2-coordinate geometry to two equivalent Y(1) atoms.