data_ZrWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.49
_cell_angle_alpha   108.41
_cell_angle_beta   108.41
_cell_angle_gamma   112.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrWCl2
_chemical_formula_sum   'Zr1 W1 Cl2'
_cell_volume   74.87
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.95  0.0  0.0  1.0
  Cl  Cl0  1  0.48  0.2  0.0  1.0
  Cl  Cl1  1  0.48  0.8  0.0  1.0

data_ZrWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.87
_cell_length_c   5.31
_cell_angle_alpha   116.7
_cell_angle_beta   108.41
_cell_angle_gamma   91.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrWCl2
_chemical_formula_sum   'Zr1 W1 Cl2'
_cell_volume   74.87
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  W  W1  1  -0.0  0.0  0.95  1.0
  Cl  Cl2  1  0.2  0.2  0.68  1.0
  Cl  Cl3  1  0.8  0.8  0.27  1.0

Zr W Cl Cl
Zr W Cl Cl 0 1 - o o 0 2 o o o 0 3 - - o 1 2 + o o 1 3 o - o 2 3 o - o 
ZrWCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrWCl2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one W(1) and one Cl(1) atom. The Zr(1)-W(1) bond length is 0.24 Å. The Zr(1)-Cl(1) bond length is 2.34 Å. W(1) is bonded in a single-bond geometry to one Zr(1) and one Cl(2) atom. The W(1)-Cl(2) bond length is 2.34 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one W(1) atom.