data_Fe7W6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   30.5
_cell_angle_beta   30.5
_cell_angle_gamma   30.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7W6
_chemical_formula_sum   'Fe7 W6'
_cell_volume   170.41
_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  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.63  0.66  1.0
  Fe  Fe2  1  0.81  0.69  0.66  1.0
  Fe  Fe3  1  0.19  0.69  0.66  1.0
  Fe  Fe4  1  0.81  0.31  0.27  1.0
  Fe  Fe5  1  0.0  0.37  0.27  1.0
  Fe  Fe6  1  0.19  0.31  0.27  1.0
  W  W7  1  0.0  0.0  0.31  1.0
  W  W8  1  0.0  0.0  0.62  1.0
  W  W9  1  0.0  0.0  0.01  1.0
  W  W10  1  0.0  0.0  0.92  1.0
  W  W11  1  0.0  0.0  0.68  1.0
  W  W12  1  0.0  0.0  0.25  1.0

data_Fe7W6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   9.07
_cell_angle_alpha   74.75
_cell_angle_beta   74.75
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7W6
_chemical_formula_sum   'Fe7 W6'
_cell_volume   170.41
_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  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.31  0.34  0.16  1.0
  Fe  Fe2  1  0.31  0.34  0.54  1.0
  Fe  Fe3  1  0.37  0.34  0.29  1.0
  Fe  Fe4  1  0.63  0.73  0.64  1.0
  Fe  Fe5  1  0.69  0.73  0.77  1.0
  Fe  Fe6  1  0.69  0.73  0.39  1.0
  W  W7  1  0.0  0.08  0.92  1.0
  W  W8  1  0.0  0.32  0.68  1.0
  W  W9  1  0.0  0.38  0.62  1.0
  W  W10  1  0.0  0.69  0.31  1.0
  W  W11  1  0.0  0.75  0.25  1.0
  W  W12  1  0.0  0.99  0.01  1.0

Fe Fe Fe Fe Fe Fe Fe W W W W W W
Fe7W6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Fe3W2 clusters and one W2Fe cluster. In each Fe3W2 cluster, there are two inequivalent W sites. In the first W site, W(1,2) is bonded in a 3-coordinate geometry to one W(5,6); one Fe(2,6); and one Fe(4,5) atom. The W(1,2)-W(5,6) bond length is 0.51 Å. The W(1,2)-Fe(2,6) bond length is 1.74 Å. The W(1,2)-Fe(4,5) bond length is 1.43 Å. In the second W site, W(5,6) is bonded in a distorted single-bond geometry to one W(1,2) and one Fe(3,7) atom. The W(5,6)-Fe(3,7) bond length is 2.01 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(2,6) is bonded in a 2-coordinate geometry to one W(1,2) and one Fe(3,7) atom. The Fe(2,6)-Fe(3,7) bond length is 1.28 Å. In the second Fe site, Fe(3,7) is bonded in a 2-coordinate geometry to one W(5,6) and one Fe(2,6) atom. In the third Fe site, Fe(4,5) is bonded in a single-bond geometry to one W(1,2) atom. In the W2Fe cluster, there are two inequivalent W sites. In the first W site, W(3) is bonded in a single-bond geometry to one Fe(1) atom. The W(3)-Fe(1) bond length is 0.07 Å. In the second W site, W(4) is bonded in a single-bond geometry to one Fe(1) atom. The W(4)-Fe(1) bond length is 0.73 Å. Fe(1) is bonded in a linear geometry to one W(3) and one W(4) atom.