# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20272655
_cell_length_b   6.11308344
_cell_length_c   6.15962957
_cell_angle_alpha   59.95815862
_cell_angle_beta   90.15404614
_cell_angle_gamma   90.16548292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li2 Fe4 O2 F6'
_cell_volume   169.58640357
_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  0.02655400  0.66574900  0.66941000  1
  Li  Li1  1  0.97342500  0.33429000  0.33055700  1
  Fe  Fe2  1  0.50011200  0.49987300  0.00016900  1
  Fe  Fe3  1  0.99979700  0.99996400  0.00005600  1
  Fe  Fe4  1  0.49999100  0.49989000  0.50001700  1
  Fe  Fe5  1  0.50017500  0.00007200  0.49992000  1
  O  O6  1  0.66348200  0.66424900  0.67003800  1
  O  O7  1  0.33649100  0.33578900  0.32993400  1
  F  F8  1  0.78212000  0.17527000  0.65020600  1
  F  F9  1  0.21786600  0.82477500  0.34975600  1
  F  F10  1  0.21534900  0.33618100  0.82932400  1
  F  F11  1  0.21804000  0.83087500  0.82654500  1
  F  F12  1  0.78464900  0.66386000  0.17064200  1
  F  F13  1  0.78194800  0.16916500  0.17342700  1
