data_Li2LaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.32
_cell_angle_alpha   117.48
_cell_angle_beta   117.48
_cell_angle_gamma   49.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaFe
_chemical_formula_sum   'Li2 La1 Fe1'
_cell_volume   76.28
_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  0.82  0.0  0.38  1.0
  Li  Li3  1  0.01  0.0  0.43  1.0
  La  La1  1  0.94  0.0  0.45  1.0
  Fe  Fe0  1  0.74  0.0  0.18  1.0

data_Li2LaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.68
_cell_length_c   5.22
_cell_angle_alpha   64.69
_cell_angle_beta   67.95
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaFe
_chemical_formula_sum   'Li2 La1 Fe1'
_cell_volume   76.28
_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  Li0  1  0.0  0.44  0.38  1.0
  Li  Li1  1  0.0  0.58  0.43  1.0
  La  La2  1  0.0  0.49  0.45  1.0
  Fe  Fe3  1  0.0  0.56  0.18  1.0

Li Li La Fe
Li2LaFe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2LaFe cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a bent 120 degrees geometry to one La(1) and one Fe(1) atom. The Li(1)-La(1) bond length is 0.50 Å. The Li(1)-Fe(1) bond length is 0.94 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one La(1) atom. The Li(2)-La(1) bond length is 0.40 Å. La(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Li(2) atom. Fe(1) is bonded in a single-bond geometry to one Li(1) atom.