data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   128.5
_cell_angle_beta   128.5
_cell_angle_gamma   75.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   100.41
_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
  Y  Y4  1  0.0  0.0  0.54  1.0
  Y  Y5  1  0.0  0.0  0.18  1.0
  Fe  Fe0  1  0.51  0.89  0.36  1.0
  Fe  Fe1  1  0.11  0.51  0.36  1.0
  Fe  Fe2  1  0.29  0.89  0.0  1.0
  Fe  Fe3  1  0.89  0.51  0.0  1.0

data_YFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.52
_cell_angle_alpha   115.75
_cell_angle_beta   115.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   100.41
_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
  Y  Y0  1  0.18  0.18  0.18  1.0
  Y  Y1  1  0.54  0.54  0.54  1.0
  Fe  Fe2  1  0.11  0.71  0.82  1.0
  Fe  Fe3  1  0.47  0.85  0.96  1.0
  Fe  Fe4  1  0.49  0.11  0.6  1.0
  Fe  Fe5  1  0.85  0.25  0.74  1.0

Y Y Fe Fe Fe Fe
YFe2 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one Y(2), one Fe(1), one Fe(2), one Fe(3), and two equivalent Fe(4) atoms. The Y(1)-Y(2) bond length is 1.98 Å. The Y(1)-Fe(1) bond length is 2.32 Å. The Y(1)-Fe(2) bond length is 2.30 Å. The Y(1)-Fe(3) bond length is 2.41 Å. There is one shorter (2.25 Å) and one longer (2.64 Å) Y(1)-Fe(4) bond length. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Y(1), one Fe(2), one Fe(3), one Fe(4), and two equivalent Fe(1) atoms. The Y(2)-Fe(2) bond length is 2.43 Å. The Y(2)-Fe(3) bond length is 2.16 Å. The Y(2)-Fe(4) bond length is 2.32 Å. There is one shorter (2.39 Å) and one longer (3.22 Å) Y(2)-Fe(1) bond length. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Y(1), two equivalent Y(2), and one Fe(3) atom. The Fe(1)-Fe(3) bond length is 1.55 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Fe(3), and one Fe(4) atom. The Fe(2)-Fe(3) bond length is 2.31 Å. The Fe(2)-Fe(4) bond length is 1.55 Å. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), one Fe(1), and one Fe(2) atom. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Fe(2) atom.