data_NaBSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSe
_chemical_formula_sum   'Na1 B1 Se1'
_cell_volume   54.15
_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
  Na  Na1  1  0.98  0.14  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.28  0.0  1.0

data_NaBSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.95
_cell_length_b   4.0
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaBSe
_chemical_formula_sum   'Na1 B1 Se1'
_cell_volume   54.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.98  0.5  0.14  1.0
  B  B1  1  0.0  0.5  0.0  1.0
  Se  Se2  1  0.0  0.5  0.28  1.0

Na B Se
NaBSe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NaBSe cluster. Na(1) is bonded in a linear geometry to one B(1) and one Se(1) atom. The Na(1)-B(1) bond length is 0.61 Å. The Na(1)-Se(1) bond length is 0.52 Å. B(1) is bonded in a single-bond geometry to one Na(1) atom. Se(1) is bonded in a single-bond geometry to one Na(1) atom.