data_LiZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnFe2
_chemical_formula_sum   'Li1 Zn1 Fe2'
_cell_volume   48.42
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.75  0.75  0.0  1.0
  Fe  Fe0  1  0.75  0.0  0.97  1.0
  Fe  Fe1  1  0.0  0.75  0.97  1.0

data_LiZnFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiZnFe2
_chemical_formula_sum   'Li2 Zn2 Fe4'
_cell_volume   96.85
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.25  0.5  -0.0  1.0
  Fe  Fe2  4  0.38  0.38  0.97  1.0

Li Zn Fe Fe
Li Zn Fe Fe 0 2 - o - 0 3 o - - 1 3 + o - 1 2 o + - 
LiFe2Zn is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiFe2Zn clusters. Li(1) is bonded in an L-shaped geometry to two equivalent Fe(1) atoms. Both Li(1)-Fe(1) bond lengths are 0.87 Å. Fe(1) is bonded in a distorted L-shaped geometry to one Li(1) and one Zn(1) atom. The Fe(1)-Zn(1) bond length is 0.87 Å. Zn(1) is bonded in an L-shaped geometry to two equivalent Fe(1) atoms.