# generated using pymatgen
data_Li2Fe2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03121300
_cell_length_b   5.19527299
_cell_length_c   12.66112500
_cell_angle_alpha   90.00005791
_cell_angle_beta   90.00004606
_cell_angle_gamma   73.03423567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2OF4
_chemical_formula_sum   'Li4 Fe4 O2 F8'
_cell_volume   190.70966037
_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  0.77139500  0.45714400  0.88554100  1
  Li  Li1  1  0.22860800  0.54285400  0.38554200  1
  Li  Li2  1  0.50484800  0.99012000  0.99469200  1
  Li  Li3  1  0.49515600  0.00987900  0.49469300  1
  Fe  Fe4  1  0.75873500  0.48256600  0.61416200  1
  Fe  Fe5  1  0.24125600  0.51743600  0.11416200  1
  Fe  Fe6  1  0.96051200  0.07918700  0.26194600  1
  Fe  Fe7  1  0.03947900  0.92081700  0.76194000  1
  O  O8  1  0.66745500  0.66482900  0.74997300  1
  O  O9  1  0.33253000  0.33516800  0.24997300  1
  F  F10  1  0.86574500  0.26849900  0.03411500  1
  F  F11  1  0.13425800  0.73150500  0.53410900  1
  F  F12  1  0.85224800  0.29544400  0.46459300  1
  F  F13  1  0.14776500  0.70455500  0.96458900  1
  F  F14  1  0.58744800  0.82511300  0.14228700  1
  F  F15  1  0.41256600  0.17488600  0.64228600  1
  F  F16  1  0.58029000  0.83914100  0.35269600  1
  F  F17  1  0.41970700  0.16085600  0.85269700  1
