# generated using pymatgen
data_LiFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04799551
_cell_length_b   5.29400437
_cell_length_c   7.40969189
_cell_angle_alpha   88.45878844
_cell_angle_beta   89.99113363
_cell_angle_gamma   89.99572598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2O3
_chemical_formula_sum   'Li2 Fe4 O6'
_cell_volume   119.52028534
_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  0.49982700  0.48853800  0.49607200  1
  Li  Li1  1  0.99994800  0.01220700  0.50442100  1
  Fe  Fe2  1  0.00018900  0.66357500  0.18233400  1
  Fe  Fe3  1  0.49978600  0.83642900  0.81738100  1
  Fe  Fe4  1  0.50045200  0.16957800  0.18091000  1
  Fe  Fe5  1  0.00006500  0.33018100  0.81948400  1
  O  O6  1  0.50018800  0.51680500  0.00866800  1
  O  O7  1  0.00009100  0.98353900  0.99118300  1
  O  O8  1  0.49960900  0.14759900  0.67326300  1
  O  O9  1  0.99967200  0.67105600  0.68632400  1
  O  O10  1  0.50005600  0.82841300  0.31367800  1
  O  O11  1  0.00009900  0.35210000  0.32628300  1
