# generated using pymatgen
data_LiFeSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25236157
_cell_length_b   10.99794495
_cell_length_c   7.40295968
_cell_angle_alpha   76.73868925
_cell_angle_beta   107.29243151
_cell_angle_gamma   81.23989047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeSO4F
_chemical_formula_sum   'Li4 Fe4 S4 O16 F4'
_cell_volume   386.06983712
_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  0.95310900  0.31062600  0.47583300  1
  Li  Li1  1  0.45315100  0.81054400  0.97592100  1
  Li  Li2  1  0.54690300  0.18943700  0.02414900  1
  Li  Li3  1  0.04674000  0.68945500  0.52398800  1
  Fe  Fe4  1  0.50003800  0.50003000  0.00016000  1
  Fe  Fe5  1  0.00017700  0.00002400  0.99976700  1
  Fe  Fe6  1  0.00012300  0.99988600  0.50025700  1
  Fe  Fe7  1  0.49995400  0.50001100  0.50003400  1
  S  S8  1  0.00890300  0.31616600  0.92839400  1
  S  S9  1  0.50887900  0.81616700  0.42837700  1
  S  S10  1  0.49110600  0.18381900  0.57163500  1
  S  S11  1  0.99106900  0.68385400  0.07156400  1
  O  O12  1  0.22294500  0.37646300  0.02500300  1
  O  O13  1  0.72296300  0.87644000  0.52498500  1
  O  O14  1  0.27706300  0.12352200  0.47504500  1
  O  O15  1  0.77705300  0.62353400  0.97499600  1
  O  O16  1  0.78059100  0.32541800  0.01063700  1
  O  O17  1  0.28050800  0.82546200  0.51057200  1
  O  O18  1  0.71950000  0.17453900  0.48945200  1
  O  O19  1  0.21937600  0.67460600  0.98930600  1
  O  O20  1  0.14697700  0.17779700  0.97087300  1
  O  O21  1  0.64687900  0.67776800  0.47092900  1
  O  O22  1  0.35308200  0.32221100  0.52908500  1
  O  O23  1  0.85300600  0.82222000  0.02908400  1
  O  O24  1  0.89443500  0.37759700  0.71001600  1
  O  O25  1  0.39446300  0.87755200  0.21001700  1
  O  O26  1  0.60555800  0.12244200  0.79002000  1
  O  O27  1  0.10556500  0.62239800  0.28992300  1
  F  F28  1  0.66293100  0.45406800  0.30036500  1
  F  F29  1  0.16328900  0.95418100  0.80039500  1
  F  F30  1  0.83689500  0.04580400  0.19962600  1
  F  F31  1  0.33677300  0.54596100  0.69959200  1
