# generated using pymatgen
data_Li4FeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17214900
_cell_length_b   5.21955280
_cell_length_c   8.07242224
_cell_angle_alpha   71.25930733
_cell_angle_beta   82.89881489
_cell_angle_gamma   69.88323606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeO3F
_chemical_formula_sum   'Li8 Fe2 O6 F2'
_cell_volume   193.76058945
_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  0.21518300  0.82937200  0.27024700  1
  Li  Li1  1  0.75630800  0.96000800  0.05403100  1
  Li  Li2  1  0.75484900  0.50132800  0.92116900  1
  Li  Li3  1  0.76758800  0.73788200  0.49452900  1
  Li  Li4  1  0.23241200  0.26211800  0.50547100  1
  Li  Li5  1  0.24515100  0.49867200  0.07883100  1
  Li  Li6  1  0.24369200  0.03999200  0.94596900  1
  Li  Li7  1  0.78481700  0.17062800  0.72975300  1
  Fe  Fe8  1  0.21806400  0.59705500  0.73984600  1
  Fe  Fe9  1  0.78193600  0.40294500  0.26015400  1
  O  O10  1  0.99029700  0.43124200  0.68311100  1
  O  O11  1  0.49225200  0.30790000  0.88595300  1
  O  O12  1  0.01715300  0.81853700  0.87932400  1
  O  O13  1  0.98284700  0.18146300  0.12067600  1
  O  O14  1  0.50774800  0.69210000  0.11404700  1
  O  O15  1  0.00970300  0.56875800  0.31688900  1
  F  F16  1  0.34266800  0.83240300  0.50878700  1
  F  F17  1  0.65733200  0.16759700  0.49121300  1
