data_YFeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   129.36
_cell_angle_beta   129.36
_cell_angle_gamma   74.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeSb2
_chemical_formula_sum   'Y1 Fe1 Sb2'
_cell_volume   93.03
_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  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.32  0.0  0.16  1.0
  Sb  Sb2  1  0.0  0.32  0.16  1.0

data_YFeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YFeSb2
_chemical_formula_sum   'Y2 Fe2 Sb4'
_cell_volume   186.07
_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  0.18  0.5  0.68  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.5  0.34  0.16  1.0

Y Fe Sb Sb
Y Fe Sb Sb 0 1 o o o 1 3 o o o 1 2 o o o 
YFeSb2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YFeSb2 clusters. Y(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. The Y(1)-Fe(1) bond length is 1.74 Å. Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Sb(1) atoms. Both Fe(1)-Sb(1) bond lengths are 1.36 Å. Sb(1) is bonded in a distorted single-bond geometry to one Fe(1) atom.