data_Nb2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WCl
_chemical_formula_sum   'Nb2 W1 Cl1'
_cell_volume   68.63
_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  0.67  0.31  0.52  1.0
  Nb  Nb2  1  0.67  0.69  0.52  1.0
  W  W3  1  0.34  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2WCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.04
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2WCl
_chemical_formula_sum   'Nb2 W1 Cl1'
_cell_volume   68.63
_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
  Nb  Nb0  2  0.52  0.31  0.67  1.0
  W  W1  1  -0.0  0.0  0.34  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Nb Nb W Cl
Nb2WCl crystallizes in the monoclinic Pm space group. Nb(1) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent W(1), and two equivalent Cl(1) atoms. The Nb(1)-Nb(1) bond length is 1.81 Å. There is one shorter (2.60 Å) and one longer (2.66 Å) Nb(1)-W(1) bond length. There is one shorter (2.60 Å) and one longer (2.66 Å) Nb(1)-Cl(1) bond length. W(1) is bonded in a distorted single-bond geometry to four equivalent Nb(1) and one Cl(1) atom. The W(1)-Cl(1) bond length is 1.63 Å. Cl(1) is bonded in a 5-coordinate geometry to four equivalent Nb(1) and one W(1) atom.