data_NaYFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.27
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYFe2
_chemical_formula_sum   'Na1 Y1 Fe2'
_cell_volume   77.74
_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
  Na  Na2  1  0.0  0.0  0.65  1.0
  Y  Y3  1  0.44  0.63  0.84  1.0
  Fe  Fe0  1  0.0  0.0  0.56  1.0
  Fe  Fe1  1  0.44  0.63  0.34  1.0

data_NaYFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.27
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYFe2
_chemical_formula_sum   'Na1 Y1 Fe2'
_cell_volume   77.74
_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
  Na  Na0  1  0.0  0.0  0.65  1.0
  Y  Y1  1  0.44  0.63  0.84  1.0
  Fe  Fe2  1  0.0  0.0  0.56  1.0
  Fe  Fe3  1  0.44  0.63  0.34  1.0

Na Y Fe Fe
NaYFe2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to two equivalent Y(1) and one Fe(1) atom. There is one shorter (2.35 Å) and one longer (2.55 Å) Na(1)-Y(1) bond length. The Na(1)-Fe(1) bond length is 0.73 Å. Y(1) is bonded in a 2-coordinate geometry to two equivalent Na(1) and one Fe(2) atom. The Y(1)-Fe(2) bond length is 4.09 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Fe(2) atoms. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.55-3.22 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Y(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. There are two shorter (2.88 Å) and two longer (3.27 Å) Fe(2)-Fe(2) bond lengths.