data_YSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   140.95
_cell_angle_beta   140.95
_cell_angle_gamma   56.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Se
_chemical_formula_sum   'Y1 Sn2 Se1'
_cell_volume   101.19
_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  Y3  1  0.0  0.0  0.6  1.0
  Sn  Sn1  1  0.12  0.0  0.8  1.0
  Sn  Sn2  1  0.0  0.12  0.8  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_YSn2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   118.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSn2Se
_chemical_formula_sum   'Y2 Sn4 Se2'
_cell_volume   202.38
_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  2  0.0  0.0  0.4  1.0
  Sn  Sn1  4  0.06  0.06  0.32  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Y Sn Sn Se
YSn2Se crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YSn2Se clusters. Y(1) is bonded in a 2-coordinate geometry to two equivalent Sn(1) atoms. Both Y(1)-Sn(1) bond lengths are 0.82 Å. Sn(1) is bonded in a 1-coordinate geometry to one Y(1) and one Se(1) atom. The Sn(1)-Se(1) bond length is 1.95 Å. Se(1) is bonded in a 2-coordinate geometry to two equivalent Sn(1) atoms.