data_YNb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   21.64
_cell_angle_beta   21.64
_cell_angle_gamma   21.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Cl
_chemical_formula_sum   'Y1 Nb2 Cl1'
_cell_volume   86.65
_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  0.1  1.0
  Nb  Nb1  1  0.0  0.0  0.17  1.0
  Nb  Nb2  1  0.0  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.74  1.0

data_YNb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   102.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YNb2Cl
_chemical_formula_sum   'Y2 Nb4 Cl2'
_cell_volume   173.29
_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  0.9  1.0
  Nb  Nb1  2  0.0  0.0  0.83  1.0
  Nb  Nb2  2  0.0  0.0  0.19  1.0
  Cl  Cl3  2  0.0  0.0  0.26  1.0

Y Nb Nb Cl
Y Nb Nb Cl 0 1 o o o 2 3 o o o 
YNbNbCl is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbCl clusters and two YNb clusters. In each NbCl cluster, Nb(2) is bonded in a single-bond geometry to one Cl(1) atom. The Nb(2)-Cl(1) bond length is 0.61 Å. Cl(1) is bonded in a single-bond geometry to one Nb(2) atom. In each YNb cluster, Y(1) is bonded in a single-bond geometry to one Nb(1) atom. The Y(1)-Nb(1) bond length is 0.62 Å. Nb(1) is bonded in a single-bond geometry to one Y(1) atom.