# generated using pymatgen
data_LiFe6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82871373
_cell_length_b   5.78225579
_cell_length_c   5.85938835
_cell_angle_alpha   70.52924741
_cell_angle_beta   68.24756539
_cell_angle_gamma   69.61384475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe6(OF2)4
_chemical_formula_sum   'Li1 Fe6 O4 F8'
_cell_volume   224.48024795
_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  0.17798500  0.32304000  0.82524100  1
  Fe  Fe1  1  0.84145600  0.62916300  0.66872100  1
  Fe  Fe2  1  0.66843900  0.34724800  0.31480700  1
  Fe  Fe3  1  0.34569500  0.71344600  0.63613900  1
  Fe  Fe4  1  0.15342300  0.32572800  0.35220800  1
  Fe  Fe5  1  0.51321500  0.97438200  0.01570000  1
  Fe  Fe6  1  0.98934200  0.95963100  0.01527800  1
  O  O7  1  0.33219500  0.99449400  0.33648300  1
  O  O8  1  0.66860700  0.64124400  0.01176300  1
  O  O9  1  0.99929600  0.27413100  0.70505800  1
  O  O10  1  0.00332100  0.67520700  0.32037300  1
  F  F11  1  0.67791700  0.03601000  0.62980200  1
  F  F12  1  0.34107600  0.38845800  0.95563300  1
  F  F13  1  0.31317400  0.94991200  0.87854200  1
  F  F14  1  0.98511400  0.24426200  0.20037400  1
  F  F15  1  0.64118500  0.56846500  0.56549800  1
  F  F16  1  0.04448600  0.71141600  0.77569900  1
  F  F17  1  0.35680900  0.41681900  0.46708400  1
  F  F18  1  0.68893400  0.09777300  0.09643400  1
