data_Fe2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2WCl
_chemical_formula_sum   'Fe2 W1 Cl1'
_cell_volume   57.58
_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
  Fe  Fe1  1  0.43  0.43  0.82  1.0
  Fe  Fe2  1  0.43  0.43  0.26  1.0
  W  W3  1  0.0  0.0  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Fe2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2WCl
_chemical_formula_sum   'Fe4 W2 Cl2'
_cell_volume   115.17
_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
  Fe  Fe0  2  0.43  0.0  0.26  1.0
  Fe  Fe1  2  0.43  0.0  0.82  1.0
  W  W2  2  0.0  0.0  0.54  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Fe Fe W Cl
WFe2Cl crystallizes in the monoclinic Cm space group. W(1) is bonded in a 12-coordinate geometry to four equivalent W(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. All W(1)-W(1) bond lengths are 2.85 Å. There are a spread of W(1)-Fe(1) bond distances ranging from 2.63-3.06 Å. There are a spread of W(1)-Fe(2) bond distances ranging from 2.63-3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to four equivalent W(1) and four equivalent Cl(1) atoms. There are a spread of Fe(1)-Cl(1) bond distances ranging from 2.13-2.63 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to four equivalent W(1) and four equivalent Cl(1) atoms. There are a spread of Fe(2)-Cl(1) bond distances ranging from 2.51-2.96 Å. Cl(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms.