# generated using pymatgen
data_LiFe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06192946
_cell_length_b   5.17628650
_cell_length_c   5.21061171
_cell_angle_alpha   72.84819225
_cell_angle_beta   90.61705036
_cell_angle_gamma   90.02440510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3O4
_chemical_formula_sum   'Li1 Fe3 O4'
_cell_volume   78.90745977
_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  0.50947600  0.49951500  0.00002700  1
  Fe  Fe1  1  0.01076500  0.99942900  0.00011400  1
  Fe  Fe2  1  0.51074400  0.99941500  0.50013500  1
  Fe  Fe3  1  0.01065300  0.49941600  0.50013700  1
  O  O4  1  0.99401500  0.75789300  0.74650400  1
  O  O5  1  0.51068700  0.76365900  0.22387000  1
  O  O6  1  0.51078800  0.23516500  0.77639400  1
  O  O7  1  0.02737200  0.24091100  0.25380100  1
