data_ScFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeW2
_chemical_formula_sum   'Sc1 Fe1 W2'
_cell_volume   63.36
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.03  1.0
  W  W2  1  0.4  0.4  0.35  1.0
  W  W3  1  0.4  0.4  0.72  1.0

data_ScFeW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScFeW2
_chemical_formula_sum   'Sc2 Fe2 W4'
_cell_volume   126.73
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.03  1.0
  W  W2  2  0.4  0.0  0.35  1.0
  W  W3  2  0.4  0.0  0.72  1.0

Sc Fe W W
ScW2Fe crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to four equivalent W(2) and one Fe(1) atom. There are a spread of Sc(1)-W(2) bond distances ranging from 2.79-3.30 Å. The Sc(1)-Fe(1) bond length is 0.26 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 9-coordinate geometry to one W(2), four equivalent W(1), and four equivalent Fe(1) atoms. The W(1)-W(2) bond length is 2.96 Å. All W(1)-W(1) bond lengths are 2.80 Å. There are a spread of W(1)-Fe(1) bond distances ranging from 3.01-3.48 Å. In the second W site, W(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one W(1), and four equivalent W(2) atoms. All W(2)-W(2) bond lengths are 2.80 Å. Fe(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent W(1) atoms.