data_Y3FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3FeCo
_chemical_formula_sum   'Y3 Fe1 Co1'
_cell_volume   131.33
_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  0.54  0.0  1.0
  Y  Y1  1  0.0  0.0  0.54  1.0
  Y  Y2  1  0.54  0.0  0.0  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.54  0.54  0.54  1.0

data_Y3FeCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y3FeCo
_chemical_formula_sum   'Y9 Fe3 Co3'
_cell_volume   393.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.03  0.51  0.51  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.54  1.0

Y Y Y Fe Co
Y3FeCo is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Y(1) is bonded in a 2-coordinate geometry to two equivalent Fe(1) and four equivalent Co(1) atoms. There is one shorter (2.33 Å) and one longer (2.75 Å) Y(1)-Fe(1) bond length. There are a spread of Y(1)-Co(1) bond distances ranging from 3.30-3.89 Å. Fe(1) is bonded to six equivalent Y(1) atoms to form FeY6 octahedra that share corners with six equivalent Fe(1)Y6 octahedra and faces with eight equivalent Co(1)Y12 cuboctahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to twelve equivalent Y(1) atoms to form CoY12 cuboctahedra that share corners with twelve equivalent Co(1)Y12 cuboctahedra, faces with six equivalent Co(1)Y12 cuboctahedra, and faces with eight equivalent Fe(1)Y6 octahedra.