# generated using pymatgen
data_LiFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91426562
_cell_length_b   4.91426562
_cell_length_c   9.70886556
_cell_angle_alpha   86.19702507
_cell_angle_beta   86.19702507
_cell_angle_gamma   118.44746455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeO3
_chemical_formula_sum   'Li4 Fe4 O12'
_cell_volume   204.41876741
_cell_formula_units_Z   4
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  0.25657700  0.74342300  0.75000000  1
  Li  Li1  1  0.74342300  0.25657700  0.25000000  1
  Li  Li2  1  0.61392400  0.38607600  0.75000000  1
  Li  Li3  1  0.38607600  0.61392400  0.25000000  1
  Fe  Fe4  1  0.16862900  0.32977000  0.00116000  1
  Fe  Fe5  1  0.83137100  0.67023000  0.99884000  1
  Fe  Fe6  1  0.67023000  0.83137100  0.49884000  1
  Fe  Fe7  1  0.32977000  0.16862900  0.50116000  1
  O  O8  1  0.09035400  0.58730900  0.11486200  1
  O  O9  1  0.90964600  0.41269100  0.88513800  1
  O  O10  1  0.98153400  0.84182900  0.60919700  1
  O  O11  1  0.15817100  0.01846600  0.89080300  1
  O  O12  1  0.01846600  0.15817100  0.39080300  1
  O  O13  1  0.64685800  0.52529200  0.39076400  1
  O  O14  1  0.84182900  0.98153400  0.10919700  1
  O  O15  1  0.47470800  0.35314200  0.10923600  1
  O  O16  1  0.35314200  0.47470800  0.60923600  1
  O  O17  1  0.52529200  0.64685800  0.89076400  1
  O  O18  1  0.58730900  0.09035400  0.61486200  1
  O  O19  1  0.41269100  0.90964600  0.38513800  1
