# generated using pymatgen
data_Li6Fe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49937936
_cell_length_b   5.66142451
_cell_length_c   9.75054187
_cell_angle_alpha   87.44587887
_cell_angle_beta   105.10020866
_cell_angle_gamma   63.56619018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe(O2F)2
_chemical_formula_sum   'Li12 Fe2 O8 F4'
_cell_volume   257.88697551
_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  0.72103900  0.81451500  0.25213000  1
  Li  Li1  1  0.72105100  0.31449800  0.75213400  1
  Li  Li2  1  0.27896200  0.18548300  0.74787000  1
  Li  Li3  1  0.27895100  0.68550000  0.24786600  1
  Li  Li4  1  0.49579500  0.29303600  0.45585800  1
  Li  Li5  1  0.49579400  0.79305100  0.95585300  1
  Li  Li6  1  0.50420500  0.70696200  0.54414300  1
  Li  Li7  1  0.50420700  0.20694600  0.04414800  1
  Li  Li8  1  0.91582000  0.17036000  0.34801000  1
  Li  Li9  1  0.91581400  0.67036800  0.84801500  1
  Li  Li10  1  0.08418300  0.82963900  0.65199100  1
  Li  Li11  1  0.08418900  0.32962900  0.15198600  1
  Fe  Fe12  1  0.99999300  0.50001800  0.49999900  1
  Fe  Fe13  1  0.99999400  0.00000600  0.99999800  1
  O  O14  1  0.34568900  0.98079100  0.10413100  1
  O  O15  1  0.34572100  0.48078900  0.60413600  1
  O  O16  1  0.65430700  0.01920800  0.89586700  1
  O  O17  1  0.65428300  0.51921000  0.39586500  1
  O  O18  1  0.89805400  0.03424200  0.16982000  1
  O  O19  1  0.89802800  0.53426200  0.66983000  1
  O  O20  1  0.10194800  0.96575400  0.83018000  1
  O  O21  1  0.10197100  0.46573800  0.33017100  1
  F  F22  1  0.77931000  0.94827000  0.44341600  1
  F  F23  1  0.77933100  0.44823400  0.94341200  1
  F  F24  1  0.22069200  0.05172800  0.55658600  1
  F  F25  1  0.22067100  0.55176300  0.05658800  1
