data_YFe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ni
_chemical_formula_sum   'Y1 Fe2 Ni1'
_cell_volume   62.07
_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  0.5  0.57  0.69  1.0
  Fe  Fe0  1  0.13  0.0  0.35  1.0
  Fe  Fe1  1  0.55  0.57  0.53  1.0
  Ni  Ni2  1  0.96  0.0  0.87  1.0

data_YFe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ni
_chemical_formula_sum   'Y1 Fe2 Ni1'
_cell_volume   62.07
_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  0.5  0.57  0.69  1.0
  Fe  Fe1  1  0.13  0.0  0.35  1.0
  Fe  Fe2  1  0.55  0.57  0.53  1.0
  Ni  Ni3  1  0.96  0.0  0.87  1.0

Y Fe Fe Ni
Y Fe Fe Ni 0 2 o o o 0 1 o + o 0 3 o + o 0 3 o o o 0 3 - + o 0 3 - o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o + o 
YFe2Ni crystallizes in the triclinic P1 space group. Y(1) is bonded in a distorted single-bond geometry to one Fe(2) and four equivalent Ni(1) atoms. The Y(1)-Fe(2) bond length is 1.04 Å. There are a spread of Y(1)-Ni(1) bond distances ranging from 2.26-2.72 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to four equivalent Fe(2) and one Ni(1) atom. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.19-2.80 Å. The Fe(1)-Ni(1) bond length is 3.05 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Y(1) and four equivalent Fe(1) atoms. Ni(1) is bonded in a 5-coordinate geometry to four equivalent Y(1) and one Fe(1) atom.