data_YZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.06
_cell_angle_alpha   109.95
_cell_angle_beta   109.95
_cell_angle_gamma   48.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnFe2
_chemical_formula_sum   'Y1 Zn1 Fe2'
_cell_volume   70.31
_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  Y2  1  0.11  0.0  0.34  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.59  0.0  0.15  1.0
  Fe  Fe1  1  0.63  0.0  0.54  1.0

data_YZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.46
_cell_length_c   5.06
_cell_angle_alpha   109.95
_cell_angle_beta   90.0
_cell_angle_gamma   114.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnFe2
_chemical_formula_sum   'Y1 Zn1 Fe2'
_cell_volume   70.31
_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  0.66  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.37  0.46  1.0
  Fe  Fe3  1  0.0  0.41  0.85  1.0

Y Zn Fe Fe
YFe2Zn crystallizes in the triclinic P1 space group. Y(1) is bonded in a 3-coordinate geometry to one Fe(1), three equivalent Fe(2), and one Zn(1) atom. The Y(1)-Fe(1) bond length is 2.19 Å. There are a spread of Y(1)-Fe(2) bond distances ranging from 2.19-3.37 Å. The Y(1)-Zn(1) bond length is 1.64 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Y(1), one Fe(2), and two equivalent Zn(1) atoms. The Fe(1)-Fe(2) bond length is 1.92 Å. There is one shorter (2.19 Å) and one longer (2.49 Å) Fe(1)-Zn(1) bond length. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Fe(1), and one Zn(1) atom. The Fe(2)-Zn(1) bond length is 2.35 Å. Zn(1) is bonded in a distorted single-bond geometry to one Y(1), one Fe(2), and two equivalent Fe(1) atoms.