data_Zn2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InFe
_chemical_formula_sum   'Zn2 In1 Fe1'
_cell_volume   64.82
_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  0.66  0.66  0.69  1.0
  Zn  Zn3  1  0.66  0.66  0.22  1.0
  In  In1  1  0.0  0.0  0.96  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Zn2InFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2InFe
_chemical_formula_sum   'Zn4 In2 Fe2'
_cell_volume   129.63
_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  0.16  0.5  0.22  1.0
  Zn  Zn1  2  0.16  0.5  0.69  1.0
  In  In2  2  0.0  0.0  0.96  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Zn Zn In Fe
FeZn2In crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a distorted single-bond geometry to one Zn(2) and one In(1) atom. The Fe(1)-Zn(2) bond length is 2.09 Å. The Fe(1)-In(1) bond length is 0.25 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Zn(2) and three equivalent In(1) atoms. The Zn(1)-Zn(2) bond length is 2.76 Å. There is one shorter (2.26 Å) and two longer (2.91 Å) Zn(1)-In(1) bond lengths. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Fe(1) and one Zn(1) atom. In(1) is bonded in a single-bond geometry to one Fe(1) and three equivalent Zn(1) atoms.