data_YFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   147.97
_cell_angle_beta   132.17
_cell_angle_gamma   58.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeW2
_chemical_formula_sum   'Y1 Fe1 W2'
_cell_volume   68.78
_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
  Y  Y3  1  0.0  0.0  0.89  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.27  0.66  1.0
  W  W2  1  0.55  0.0  0.23  1.0

data_YFeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.55
_cell_length_c   5.61
_cell_angle_alpha   113.91
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeW2
_chemical_formula_sum   'Y1 Fe1 W2'
_cell_volume   68.78
_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
  Y  Y0  1  0.0  0.89  0.89  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.23  0.68  1.0
  W  W3  1  0.73  0.39  0.39  1.0

Y Fe W W
Y Fe W W 0 1 o o + 0 3 o o + 1 3 o o o 2 3 - o o 
YW2Fe crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to one W(1), two equivalent W(2), and one Fe(1) atom. The Y(1)-W(1) bond length is 2.71 Å. There is one shorter (2.28 Å) and one longer (2.74 Å) Y(1)-W(2) bond length. The Y(1)-Fe(1) bond length is 0.63 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one Y(1), one W(2), and two equivalent Fe(1) atoms. The W(1)-W(2) bond length is 2.04 Å. There is one shorter (2.53 Å) and one longer (2.65 Å) W(1)-Fe(1) bond length. In the second W site, W(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one W(1), and one Fe(1) atom. The W(2)-Fe(1) bond length is 2.40 Å. Fe(1) is bonded in a single-bond geometry to one Y(1), one W(2), and two equivalent W(1) atoms.