data_ZnFe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.91
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Bi
_chemical_formula_sum   'Zn1 Fe2 Bi1'
_cell_volume   69.36
_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  Zn3  1  0.33  0.0  0.38  1.0
  Fe  Fe1  1  0.41  0.0  0.22  1.0
  Fe  Fe2  1  0.95  0.95  0.54  1.0
  Bi  Bi0  1  0.96  0.95  0.55  1.0

data_ZnFe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.91
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Bi
_chemical_formula_sum   'Zn1 Fe2 Bi1'
_cell_volume   69.36
_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  Zn0  1  0.33  0.0  0.38  1.0
  Fe  Fe1  1  0.41  0.0  0.22  1.0
  Fe  Fe2  1  0.95  0.95  0.54  1.0
  Bi  Bi3  1  0.96  0.95  0.55  1.0

Zn Fe Fe Bi
Zn Fe Fe Bi 0 1 o o o 2 3 o o o 
ZnFeBiFe1 is Cubane-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one bismuth;iron molecule and one ZnFe cluster. In the ZnFe cluster, Fe(1) is bonded in a single-bond geometry to one Zn(1) atom. The Fe(1)-Zn(1) bond length is 1.02 Å. Zn(1) is bonded in a distorted single-bond geometry to one Fe(1) atom.