# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17614133
_cell_length_b   10.85312686
_cell_length_c   6.18408652
_cell_angle_alpha   106.54398932
_cell_angle_beta   59.96305801
_cell_angle_gamma   106.45404832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   339.01581602
_cell_formula_units_Z   4
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  0.51005700  0.53000500  0.50999400  1
  Li  Li1  1  0.01006800  0.03004200  0.01000500  1
  Li  Li2  1  0.36494400  0.09498700  0.36500500  1
  Li  Li3  1  0.86492800  0.59495000  0.86499000  1
  Fe  Fe4  1  0.93750700  0.31249500  0.43748900  1
  Fe  Fe5  1  0.93748700  0.31249700  0.93751000  1
  Fe  Fe6  1  0.93749600  0.81249500  0.43750700  1
  Fe  Fe7  1  0.68713900  0.06241300  0.68764200  1
  Fe  Fe8  1  0.18785900  0.56257000  0.18735200  1
  Fe  Fe9  1  0.43751100  0.81249900  0.93750000  1
  Fe  Fe10  1  0.43749500  0.81249800  0.43749400  1
  Fe  Fe11  1  0.43750300  0.31249700  0.93749600  1
  O  O12  1  0.57609000  0.72653700  0.57524700  1
  O  O13  1  0.07641000  0.22663000  0.07513100  1
  O  O14  1  0.29891200  0.89846900  0.29975500  1
  O  O15  1  0.79859800  0.39837100  0.79986500  1
  F  F16  1  0.55412300  0.67516700  0.06053500  1
  F  F17  1  0.05395300  0.17511900  0.56059900  1
  F  F18  1  0.81466000  0.95054000  0.32114300  1
  F  F19  1  0.31455700  0.45053300  0.82116200  1
  F  F20  1  0.56043500  0.17443200  0.56026000  1
  F  F21  1  0.06033800  0.67441800  0.06032500  1
  F  F22  1  0.32086400  0.94984100  0.81445600  1
  F  F23  1  0.82103200  0.44988500  0.31438900  1
  F  F24  1  0.81469600  0.95058900  0.81470900  1
  F  F25  1  0.31459100  0.45058900  0.31476500  1
  F  F26  1  0.56042100  0.17446700  0.05382600  1
  F  F27  1  0.06032700  0.67446400  0.55384900  1
