data_YReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReSe2
_chemical_formula_sum   'Y1 Re1 Se2'
_cell_volume   79.83
_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  0.95  1.0
  Re  Re0  1  0.79  0.79  0.06  1.0
  Se  Se1  1  0.0  0.0  0.84  1.0
  Se  Se2  1  0.79  0.79  0.69  1.0

data_YReSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YReSe2
_chemical_formula_sum   'Y2 Re2 Se4'
_cell_volume   159.67
_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  0.95  1.0
  Re  Re1  2  0.29  0.5  0.06  1.0
  Se  Se2  2  0.0  0.0  0.84  1.0
  Se  Se3  2  0.29  0.5  0.69  1.0

Y Re Se Se
YReSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YReSe2 clusters. Y(1) is bonded in a distorted bent 120 degrees geometry to one Re(1) and one Se(1) atom. The Y(1)-Re(1) bond length is 1.27 Å. The Y(1)-Se(1) bond length is 0.73 Å. Re(1) is bonded in a single-bond geometry to one Y(1) and one Se(2) atom. The Re(1)-Se(2) bond length is 2.32 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Y(1) and one Se(2) atom. The Se(1)-Se(2) bond length is 1.39 Å. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to one Re(1) and one Se(1) atom.