data_NiW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.41
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2Cl
_chemical_formula_sum   'Ni1 W2 Cl1'
_cell_volume   62.79
_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
  Ni  Ni1  1  0.32  0.0  0.3  1.0
  W  W2  1  0.92  0.71  0.61  1.0
  W  W3  1  0.72  0.71  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.41
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2Cl
_chemical_formula_sum   'Ni1 W2 Cl1'
_cell_volume   62.79
_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
  Ni  Ni0  1  0.32  0.0  0.3  1.0
  W  W1  1  0.72  0.71  0.99  1.0
  W  W2  1  0.92  0.71  0.61  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni W W Cl
W2NiCl crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to one W(2), two equivalent W(1), three equivalent Ni(1), and one Cl(1) atom. The W(1)-W(2) bond length is 2.60 Å. Both W(1)-W(1) bond lengths are 2.79 Å. There are a spread of W(1)-Ni(1) bond distances ranging from 2.55-3.36 Å. The W(1)-Cl(1) bond length is 2.79 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one W(1) and one Cl(1) atom. The W(2)-Cl(1) bond length is 1.26 Å. Ni(1) is bonded in a 1-coordinate geometry to three equivalent W(1) and one Cl(1) atom. The Ni(1)-Cl(1) bond length is 2.14 Å. Cl(1) is bonded in a distorted single-bond geometry to one W(1), one W(2), and one Ni(1) atom.