data_NbBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   153.34
_cell_angle_beta   153.34
_cell_angle_gamma   38.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiSe
_chemical_formula_sum   'Nb1 Bi1 Se1'
_cell_volume   70.86
_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
  Nb  Nb1  1  0.0  0.0  0.17  1.0
  Bi  Bi0  1  0.0  0.0  0.05  1.0
  Se  Se2  1  0.0  0.0  0.5  1.0

data_NbBiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   109.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBiSe
_chemical_formula_sum   'Nb2 Bi2 Se2'
_cell_volume   141.72
_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
  Nb  Nb0  2  0.0  0.0  0.83  1.0
  Bi  Bi1  2  0.0  0.0  0.95  1.0
  Se  Se2  2  0.0  0.0  0.5  1.0

Nb Bi Se
Nb Bi Se 0 1 o o o 0 2 o o o 
NbBiSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbBiSe clusters. Nb(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Se(1) atom. The Nb(1)-Bi(1) bond length is 0.82 Å. The Nb(1)-Se(1) bond length is 2.34 Å. Bi(1) is bonded in a single-bond geometry to one Nb(1) atom. Se(1) is bonded in a single-bond geometry to one Nb(1) atom.