# generated using pymatgen
data_LiFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04479302
_cell_length_b   8.05839267
_cell_length_c   5.30804742
_cell_angle_alpha   69.67887771
_cell_angle_beta   89.98729999
_cell_angle_gamma   79.10653398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2O3
_chemical_formula_sum   'Li2 Fe4 O6'
_cell_volume   119.62930434
_cell_formula_units_Z   2
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  0.25052000  0.49901700  0.25044700  1
  Li  Li1  1  0.74931000  0.50020100  0.74943700  1
  Fe  Fe2  1  0.40826100  0.18358800  0.06903100  1
  Fe  Fe3  1  0.59027900  0.82065400  0.92200900  1
  Fe  Fe4  1  0.91159000  0.17870800  0.57857200  1
  Fe  Fe5  1  0.09120800  0.81710600  0.43052100  1
  O  O6  1  0.50491800  0.99165800  0.48244900  1
  O  O7  1  0.99660000  0.00856400  0.01702300  1
  O  O8  1  0.16102900  0.67642700  0.81182400  1
  O  O9  1  0.65785700  0.68361900  0.32939000  1
  O  O10  1  0.84119700  0.31637800  0.17122500  1
  O  O11  1  0.33719000  0.32408000  0.68807200  1
