data_Y2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BiSe
_chemical_formula_sum   'Y2 Bi1 Se1'
_cell_volume   113.61
_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  0.16  0.16  0.41  1.0
  Y  Y3  1  0.0  0.0  0.18  1.0
  Bi  Bi0  1  0.16  0.16  0.36  1.0
  Se  Se1  1  0.0  0.0  0.3  1.0

data_Y2BiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2BiSe
_chemical_formula_sum   'Y4 Bi2 Se2'
_cell_volume   227.22
_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  0.18  1.0
  Y  Y1  2  0.16  0.0  0.41  1.0
  Bi  Bi2  2  0.16  0.0  0.36  1.0
  Se  Se3  2  0.0  0.0  0.3  1.0

Y Y Bi Se
Y2BiSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2BiSe clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Bi(1) atom. The Y(1)-Bi(1) bond length is 0.27 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Se(1) atom. The Y(2)-Se(1) bond length is 0.75 Å. Bi(1) is bonded in a distorted water-like geometry to one Y(1) and one Se(1) atom. The Bi(1)-Se(1) bond length is 1.03 Å. Se(1) is bonded in a distorted water-like geometry to one Y(2) and one Bi(1) atom.