# generated using pymatgen
data_LiFe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19440345
_cell_length_b   5.19440345
_cell_length_c   3.04956300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.93300769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3O4
_chemical_formula_sum   'Li1 Fe3 O4'
_cell_volume   78.28525248
_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  0.50000000  0.50000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  O  O4  1  0.24617800  0.24617800  0.50000000  1
  O  O5  1  0.25553600  0.74446400  0.00000000  1
  O  O6  1  0.74446400  0.25553600  0.00000000  1
  O  O7  1  0.75382200  0.75382200  0.50000000  1
