# generated using pymatgen
data_LiFe8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94890256
_cell_length_b   4.90358505
_cell_length_c   12.09719186
_cell_angle_alpha   89.59212803
_cell_angle_beta   90.92466128
_cell_angle_gamma   90.55461346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(OF)8
_chemical_formula_sum   'Li1 Fe8 O8 F8'
_cell_volume   293.50786862
_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  0.50184600  0.98089000  0.07590800  1
  Fe  Fe1  1  0.96989100  0.95453700  0.99284100  1
  Fe  Fe2  1  0.03415700  0.05069300  0.25329900  1
  Fe  Fe3  1  0.96584800  0.93549400  0.49919300  1
  Fe  Fe4  1  0.06574600  0.02606500  0.74654900  1
  Fe  Fe5  1  0.55608900  0.46631000  0.13063300  1
  Fe  Fe6  1  0.46644200  0.53177200  0.62400400  1
  Fe  Fe7  1  0.46636900  0.53386800  0.87386600  1
  Fe  Fe8  1  0.45075100  0.54148000  0.37411400  1
  O  O9  1  0.17301800  0.81675300  0.37360400  1
  O  O10  1  0.18491600  0.80917100  0.62440300  1
  O  O11  1  0.18396800  0.80596000  0.87453400  1
  O  O12  1  0.32124700  0.31332900  0.25344800  1
  O  O13  1  0.32835000  0.31939400  0.74949400  1
  O  O14  1  0.67437300  0.69499000  0.99551600  1
  O  O15  1  0.66827400  0.67902200  0.50074700  1
  O  O16  1  0.83152500  0.15831900  0.11885200  1
  F  F17  1  0.20285400  0.79705400  0.12413300  1
  F  F18  1  0.32292600  0.26574200  0.99373100  1
  F  F19  1  0.28783700  0.31080500  0.50079000  1
  F  F20  1  0.69473400  0.71985200  0.26017200  1
  F  F21  1  0.68774900  0.70895500  0.74988900  1
  F  F22  1  0.80982600  0.19851700  0.37842800  1
  F  F23  1  0.81459900  0.18410400  0.62478400  1
  F  F24  1  0.82277500  0.19692600  0.86957000  1
