data_ZnFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   149.96
_cell_angle_beta   149.96
_cell_angle_gamma   43.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeSb
_chemical_formula_sum   'Zn1 Fe1 Sb1'
_cell_volume   52.75
_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
  Zn  Zn2  1  0.0  0.0  0.99  1.0
  Fe  Fe0  1  0.0  0.0  0.04  1.0
  Sb  Sb1  1  0.0  0.0  0.05  1.0

data_ZnFeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnFeSb
_chemical_formula_sum   'Zn2 Fe2 Sb2'
_cell_volume   105.5
_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
  Zn  Zn0  2  0.0  0.0  0.01  1.0
  Fe  Fe1  2  0.0  0.0  0.96  1.0
  Sb  Sb2  2  0.0  0.0  0.95  1.0

Zn Fe Sb
Zn Fe Sb 0 2 o o + 0 1 o o + 1 2 o o o 
FeZnSb is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeZnSb clusters. Fe(1) is bonded in a linear geometry to one Zn(1) and one Sb(1) atom. The Fe(1)-Zn(1) bond length is 0.33 Å. The Fe(1)-Sb(1) bond length is 0.04 Å. Zn(1) is bonded in a single-bond geometry to one Fe(1) atom. Sb(1) is bonded in a single-bond geometry to one Fe(1) atom.