data_FeWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeWClO4
_chemical_formula_sum   'Fe2 W2 Cl2 O8'
_cell_volume   233.58
_cell_formula_units_Z   2
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  Fe2  1  0.0  0.35  0.45  1.0
  Fe  Fe3  1  0.35  0.0  0.75  1.0
  W  W12  1  0.35  0.35  0.0  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.35  0.0  0.53  1.0
  Cl  Cl1  1  0.0  0.35  0.68  1.0
  O  O4  1  0.91  0.35  0.07  1.0
  O  O5  1  0.79  0.35  0.07  1.0
  O  O6  1  0.0  0.27  0.07  1.0
  O  O7  1  0.0  0.44  0.07  1.0
  O  O8  1  0.35  0.91  0.13  1.0
  O  O9  1  0.35  0.79  0.13  1.0
  O  O10  1  0.27  0.0  0.13  1.0
  O  O11  1  0.44  0.0  0.13  1.0

data_FeWClO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeWClO4
_chemical_formula_sum   'Fe2 W2 Cl2 O8'
_cell_volume   233.58
_cell_formula_units_Z   2
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  Fe0  1  0.45  0.0  0.35  1.0
  Fe  Fe1  1  0.75  0.35  0.0  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.35  0.35  1.0
  Cl  Cl4  1  0.53  0.35  0.0  1.0
  Cl  Cl5  1  0.68  0.0  0.35  1.0
  O  O6  1  0.07  0.0  0.27  1.0
  O  O7  1  0.07  0.0  0.44  1.0
  O  O8  1  0.07  0.79  0.35  1.0
  O  O9  1  0.07  0.91  0.35  1.0
  O  O10  1  0.13  0.27  0.0  1.0
  O  O11  1  0.13  0.35  0.79  1.0
  O  O12  1  0.13  0.35  0.91  1.0
  O  O13  1  0.13  0.44  0.0  1.0

Fe Fe W W Cl Cl O O O O O O O O
Fe Fe W W Cl Cl O O O O O O O O 0 5 o o o 1 4 o o o 1 2 o o + 2 12 o o o 2 8 o o o 2 5 o o - 2 9 o o o 2 6 - o o 2 13 o o o 2 10 o - o 2 11 o o o 2 7 o o o 3 12 o o o 3 8 o o o 6 7 o o o 6 8 + o o 6 9 + o o 10 12 o + o 10 11 o o o 10 13 o + o 
FeWO4Cl crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 8-coordinate geometry to one Fe(2), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one Cl(2) atom. The W(1)-Fe(2) bond length is 2.69 Å. The W(1)-O(2) bond length is 2.94 Å. The W(1)-O(3) bond length is 2.44 Å. The W(1)-O(4) bond length is 2.44 Å. The W(1)-O(6) bond length is 3.00 Å. The W(1)-O(7) bond length is 2.52 Å. The W(1)-O(8) bond length is 2.52 Å. The W(1)-Cl(2) bond length is 2.89 Å. In the second W site, W(2) is bonded in an L-shaped geometry to one O(3) and one O(7) atom. The W(2)-O(3) bond length is 1.81 Å. The W(2)-O(7) bond length is 1.91 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Cl(2) atom. The Fe(1)-Cl(2) bond length is 1.17 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one W(1), one O(7), and one Cl(1) atom. The Fe(2)-O(7) bond length is 2.08 Å. The Fe(2)-Cl(1) bond length is 1.17 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. The O(1)-O(2) bond length is 0.86 Å. The O(1)-O(3) bond length is 0.81 Å. The O(1)-O(4) bond length is 0.81 Å. In the second O site, O(2) is bonded in a single-bond geometry to one W(1) and one O(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one W(1), one W(2), and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one W(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one O(6), one O(7), and one O(8) atom. The O(5)-O(6) bond length is 0.86 Å. The O(5)-O(7) bond length is 0.81 Å. The O(5)-O(8) bond length is 0.81 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one W(1) and one O(5) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one W(1), one W(2), one Fe(2), one O(5), one O(8), and one Cl(1) atom. The O(7)-O(8) bond length is 1.15 Å. The O(7)-Cl(1) bond length is 2.11 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one W(1), one O(5), and one O(7) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(2) and one O(7) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one W(1) and one Fe(1) atom.