# generated using pymatgen
data_Li2Fe4OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55756700
_cell_length_b   8.03942817
_cell_length_c   9.14379462
_cell_angle_alpha   67.34312093
_cell_angle_beta   70.15686505
_cell_angle_gamma   74.12605654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe4OF8
_chemical_formula_sum   'Li4 Fe8 O2 F16'
_cell_volume   412.74078418
_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  0.26287900  0.25847500  0.66071400  1
  Li  Li1  1  0.40184700  0.71480600  0.06328000  1
  Li  Li2  1  0.59815300  0.28519400  0.93672000  1
  Li  Li3  1  0.73712100  0.74152500  0.33928600  1
  Fe  Fe4  1  0.69267700  0.32772500  0.27761800  1
  Fe  Fe5  1  0.13731700  0.88117600  0.41210300  1
  Fe  Fe6  1  0.93172100  0.88802100  0.91733000  1
  Fe  Fe7  1  0.84943700  0.64656100  0.74015700  1
  Fe  Fe8  1  0.15056300  0.35343900  0.25984300  1
  Fe  Fe9  1  0.06827900  0.11197900  0.08267000  1
  Fe  Fe10  1  0.86268300  0.11882400  0.58789700  1
  Fe  Fe11  1  0.30732300  0.67227500  0.72238200  1
  O  O12  1  0.03558400  0.85887200  0.67248200  1
  O  O13  1  0.96441600  0.14112800  0.32751800  1
  F  F14  1  0.84219700  0.93149700  0.14338600  1
  F  F15  1  0.43243400  0.76409300  0.46339100  1
  F  F16  1  0.79471100  0.31403600  0.03837900  1
  F  F17  1  0.41105900  0.47522000  0.22156500  1
  F  F18  1  0.15296200  0.47671800  0.72011400  1
  F  F19  1  0.28787000  0.88473000  0.17334000  1
  F  F20  1  0.11780800  0.26495500  0.50859600  1
  F  F21  1  0.29974500  0.27284900  0.05671700  1
  F  F22  1  0.70025500  0.72715100  0.94328300  1
  F  F23  1  0.88219200  0.73504500  0.49140400  1
  F  F24  1  0.71213000  0.11527000  0.82666000  1
  F  F25  1  0.84703800  0.52328200  0.27988600  1
  F  F26  1  0.58894100  0.52478000  0.77843500  1
  F  F27  1  0.20528900  0.68596400  0.96162100  1
  F  F28  1  0.56756600  0.23590700  0.53660900  1
  F  F29  1  0.15780300  0.06850300  0.85661400  1
