data_Fe2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SbTe
_chemical_formula_sum   'Fe2 Sb1 Te1'
_cell_volume   80.94
_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
  Fe  Fe0  1  0.0  0.0  0.35  1.0
  Fe  Fe1  1  0.63  0.63  0.52  1.0
  Sb  Sb2  1  0.0  0.0  0.12  1.0
  Te  Te3  1  0.63  0.63  0.43  1.0

data_Fe2SbTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2SbTe
_chemical_formula_sum   'Fe4 Sb2 Te2'
_cell_volume   161.87
_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
  Fe  Fe0  2  0.0  0.0  0.35  1.0
  Fe  Fe1  2  0.13  0.5  0.52  1.0
  Sb  Sb2  2  0.0  0.0  0.12  1.0
  Te  Te3  2  0.13  0.5  0.43  1.0

Fe Fe Sb Te
Fe Fe Sb Te 0 3 - - o 0 2 o o o 1 3 o o o 
Fe2SbTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Fe2SbTe clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Sb(1) and one Te(1) atom. The Fe(1)-Sb(1) bond length is 1.72 Å. The Fe(1)-Te(1) bond length is 1.81 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Te(1) atom. The Fe(2)-Te(1) bond length is 0.71 Å. Sb(1) is bonded in a single-bond geometry to one Fe(1) atom. Te(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom.