data_Zn4Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4Fe
_chemical_formula_sum   'Zn4 Fe1'
_cell_volume   86.71
_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  Zn1  1  0.39  0.39  0.61  1.0
  Zn  Zn2  1  0.61  0.39  0.39  1.0
  Zn  Zn3  1  0.39  0.39  0.39  1.0
  Zn  Zn4  1  0.39  0.61  0.39  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Zn4Fe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4Fe
_chemical_formula_sum   'Zn12 Fe3'
_cell_volume   260.12
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Zn  Zn0  9  0.14  0.07  0.46  1.0
  Zn  Zn1  3  0.0  0.0  0.39  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Fe
FeZn4 is Iron carbide-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three FeZn4 clusters. Fe(1) is bonded in a single-bond geometry to one Zn(2) atom. The Fe(1)-Zn(2) bond length is 1.90 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.02 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one Fe(1) and three equivalent Zn(1) atoms.