data_YCrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.89
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   104.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrFe2
_chemical_formula_sum   'Y1 Cr1 Fe2'
_cell_volume   61.56
_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  0.76  0.95  0.58  1.0
  Cr  Cr0  1  0.51  0.0  0.67  1.0
  Fe  Fe1  1  0.43  0.95  0.23  1.0
  Fe  Fe2  1  0.14  0.0  0.06  1.0

data_YCrFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.89
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   104.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrFe2
_chemical_formula_sum   'Y1 Cr1 Fe2'
_cell_volume   61.56
_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  0.76  0.95  0.58  1.0
  Cr  Cr1  1  0.51  0.0  0.67  1.0
  Fe  Fe2  1  0.14  0.0  0.06  1.0
  Fe  Fe3  1  0.43  0.95  0.23  1.0

Y Cr Fe Fe
Y Cr Fe Fe 0 1 o + o 2 3 o + o 
YCrFe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YCrFe2 cluster. Y(1) is bonded in a 1-coordinate geometry to one Cr(1) and one Fe(1) atom. The Y(1)-Cr(1) bond length is 1.01 Å. The Y(1)-Fe(1) bond length is 1.94 Å. Cr(1) is bonded in a distorted single-bond geometry to one Y(1) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 1.13 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Fe(1) atom.