# generated using pymatgen
data_LiFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03853577
_cell_length_b   3.07891688
_cell_length_c   7.55026494
_cell_angle_alpha   90.11118339
_cell_angle_beta   86.66199518
_cell_angle_gamma   120.48604250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2O3
_chemical_formula_sum   'Li1 Fe2 O3'
_cell_volume   60.73599486
_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  0.98411875  0.99523054  0.47959205  1
  Fe  Fe1  1  0.65443283  0.32536264  0.82428502  1
  Fe  Fe2  1  0.36323095  0.68256152  0.19054134  1
  O  O3  1  0.95160008  0.97435872  0.98145538  1
  O  O4  1  0.34719764  0.67086059  0.69132646  1
  O  O5  1  0.69939973  0.35162499  0.33279976  1
