data_YFe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   18.84
_cell_angle_beta   18.84
_cell_angle_gamma   18.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Cu
_chemical_formula_sum   'Y1 Fe2 Cu1'
_cell_volume   65.89
_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  0.0  0.0  0.22  1.0
  Fe  Fe1  1  0.0  0.0  0.55  1.0
  Fe  Fe2  1  0.0  0.0  0.89  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_YFe2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   2.94
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFe2Cu
_chemical_formula_sum   'Y2 Fe4 Cu2'
_cell_volume   131.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.78  1.0
  Fe  Fe1  2  0.0  0.0  0.11  1.0
  Fe  Fe2  2  0.0  0.0  0.45  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0

Y Fe Fe Cu
YFe2Cu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YFe2Cu clusters. Y(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Cu(1) atom. The Y(1)-Fe(1) bond length is 2.94 Å. The Y(1)-Cu(1) bond length is 1.98 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Y(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Cu(1) atom. The Fe(2)-Cu(1) bond length is 0.96 Å. Cu(1) is bonded in a linear geometry to one Y(1) and one Fe(2) atom.