data_SrLi2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr1 Li2 Fe1'
_cell_volume   88.15
_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
  Sr  Sr3  1  0.97  0.0  0.0  1.0
  Li  Li1  1  0.49  0.24  0.65  1.0
  Li  Li2  1  0.49  0.76  0.65  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_SrLi2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   112.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr1 Li2 Fe1'
_cell_volume   88.15
_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
  Sr  Sr0  1  0.0  0.97  0.0  1.0
  Li  Li1  1  0.65  0.49  0.24  1.0
  Li  Li2  1  0.65  0.49  0.76  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Sr Li Li Fe
Li2SrFe crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to two equivalent Li(2) and one Fe(1) atom. There is one shorter (2.56 Å) and one longer (2.81 Å) Li(1)-Li(2) bond length. The Li(1)-Fe(1) bond length is 2.68 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Sr(1) atoms. There is one shorter (2.68 Å) and one longer (3.26 Å) Li(2)-Sr(1) bond length. Sr(1) is bonded in a single-bond geometry to two equivalent Li(2) and one Fe(1) atom. The Sr(1)-Fe(1) bond length is 0.14 Å. Fe(1) is bonded in a single-bond geometry to one Li(1) and one Sr(1) atom.