# generated using pymatgen
data_Li2Fe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29578400
_cell_length_b   9.40146300
_cell_length_c   13.85871800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(SO4)2
_chemical_formula_sum   'Li16 Fe8 S16 O64'
_cell_volume   1211.16837587
_cell_formula_units_Z   8
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  0.77979200  0.96633600  0.37396300  1
  Li  Li1  1  0.72020800  0.96633600  0.87396300  1
  Li  Li2  1  0.04549100  0.77547300  0.37268500  1
  Li  Li3  1  0.45450900  0.77547300  0.87268500  1
  Li  Li4  1  0.95450900  0.72452700  0.87268500  1
  Li  Li5  1  0.54549100  0.72452700  0.37268500  1
  Li  Li6  1  0.27979200  0.53366400  0.37396300  1
  Li  Li7  1  0.22020800  0.53366400  0.87396300  1
  Li  Li8  1  0.77979200  0.46633600  0.12603700  1
  Li  Li9  1  0.72020800  0.46633600  0.62603700  1
  Li  Li10  1  0.45450900  0.27547300  0.62731500  1
  Li  Li11  1  0.04549100  0.27547300  0.12731500  1
  Li  Li12  1  0.54549100  0.22452700  0.12731500  1
  Li  Li13  1  0.95450900  0.22452700  0.62731500  1
  Li  Li14  1  0.22020800  0.03366400  0.62603700  1
  Li  Li15  1  0.27979200  0.03366400  0.12603700  1
  Fe  Fe16  1  0.89691600  0.86067700  0.12345200  1
  Fe  Fe17  1  0.60308400  0.86067700  0.62345200  1
  Fe  Fe18  1  0.39691600  0.63932300  0.12345200  1
  Fe  Fe19  1  0.10308400  0.63932300  0.62345200  1
  Fe  Fe20  1  0.89691600  0.36067700  0.37654800  1
  Fe  Fe21  1  0.60308400  0.36067700  0.87654800  1
  Fe  Fe22  1  0.39691600  0.13932300  0.37654800  1
  Fe  Fe23  1  0.10308400  0.13932300  0.87654800  1
  S  S24  1  0.93019200  0.92578300  0.72754200  1
  S  S25  1  0.56980800  0.92578300  0.22754200  1
  S  S26  1  0.31245600  0.83920700  0.49067700  1
  S  S27  1  0.18754400  0.83920700  0.99067700  1
  S  S28  1  0.81245600  0.66079300  0.49067700  1
  S  S29  1  0.68754400  0.66079300  0.99067700  1
  S  S30  1  0.06980800  0.57421700  0.22754200  1
  S  S31  1  0.43019200  0.57421700  0.72754200  1
  S  S32  1  0.56980800  0.42578300  0.27245800  1
  S  S33  1  0.93019200  0.42578300  0.77245800  1
  S  S34  1  0.31245600  0.33920700  0.00932300  1
  S  S35  1  0.18754400  0.33920700  0.50932300  1
  S  S36  1  0.81245600  0.16079300  0.00932300  1
  S  S37  1  0.68754400  0.16079300  0.50932300  1
  S  S38  1  0.43019200  0.07421700  0.77245800  1
  S  S39  1  0.06980800  0.07421700  0.27245800  1
  O  O40  1  0.29978100  0.99595100  0.47655600  1
  O  O41  1  0.20021900  0.99595100  0.97655600  1
  O  O42  1  0.00242700  0.98227400  0.34613000  1
  O  O43  1  0.49757300  0.98227400  0.84613000  1
  O  O44  1  0.53784900  0.97465600  0.32881400  1
  O  O45  1  0.96215100  0.97465600  0.82881400  1
  O  O46  1  0.76947700  0.92753600  0.72180200  1
  O  O47  1  0.73052300  0.92753600  0.22180200  1
  O  O48  1  0.26857300  0.81212900  0.08195900  1
  O  O49  1  0.23142700  0.81212900  0.58195900  1
  O  O50  1  0.03402700  0.79519900  0.00325900  1
  O  O51  1  0.46597300  0.79519900  0.50325900  1
  O  O52  1  0.98570500  0.77686900  0.72152200  1
  O  O53  1  0.51429500  0.77686900  0.22152200  1
  O  O54  1  0.25505700  0.75835400  0.40712500  1
  O  O55  1  0.24494300  0.75835400  0.90712500  1
  O  O56  1  0.75505700  0.74164600  0.40712500  1
  O  O57  1  0.74494300  0.74164600  0.90712500  1
  O  O58  1  0.01429500  0.72313100  0.22152200  1
  O  O59  1  0.48570500  0.72313100  0.72152200  1
  O  O60  1  0.96597300  0.70480100  0.50325900  1
  O  O61  1  0.53402700  0.70480100  0.00325900  1
  O  O62  1  0.76857300  0.68787100  0.08195900  1
  O  O63  1  0.73142700  0.68787100  0.58195900  1
  O  O64  1  0.23052300  0.57246400  0.22180200  1
  O  O65  1  0.26947700  0.57246400  0.72180200  1
  O  O66  1  0.46215100  0.52534400  0.82881400  1
  O  O67  1  0.03784900  0.52534400  0.32881400  1
  O  O68  1  0.50242700  0.51772600  0.34613000  1
  O  O69  1  0.99757300  0.51772600  0.84613000  1
  O  O70  1  0.79978100  0.50404900  0.47655600  1
  O  O71  1  0.70021900  0.50404900  0.97655600  1
  O  O72  1  0.29978100  0.49595100  0.02344400  1
  O  O73  1  0.20021900  0.49595100  0.52344400  1
  O  O74  1  0.49757300  0.48227400  0.65387000  1
  O  O75  1  0.00242700  0.48227400  0.15387000  1
  O  O76  1  0.53784900  0.47465600  0.17118600  1
  O  O77  1  0.96215100  0.47465600  0.67118600  1
  O  O78  1  0.73052300  0.42753600  0.27819800  1
  O  O79  1  0.76947700  0.42753600  0.77819800  1
  O  O80  1  0.26857300  0.31212900  0.41804100  1
  O  O81  1  0.23142700  0.31212900  0.91804100  1
  O  O82  1  0.46597300  0.29519900  0.99674100  1
  O  O83  1  0.03402700  0.29519900  0.49674100  1
  O  O84  1  0.51429500  0.27686900  0.27847800  1
  O  O85  1  0.98570500  0.27686900  0.77847800  1
  O  O86  1  0.25505700  0.25835400  0.09287500  1
  O  O87  1  0.24494300  0.25835400  0.59287500  1
  O  O88  1  0.75505700  0.24164600  0.09287500  1
  O  O89  1  0.74494300  0.24164600  0.59287500  1
  O  O90  1  0.48570500  0.22313100  0.77847800  1
  O  O91  1  0.01429500  0.22313100  0.27847800  1
  O  O92  1  0.53402700  0.20480100  0.49674100  1
  O  O93  1  0.96597300  0.20480100  0.99674100  1
  O  O94  1  0.76857300  0.18787100  0.41804100  1
  O  O95  1  0.73142700  0.18787100  0.91804100  1
  O  O96  1  0.26947700  0.07246400  0.77819800  1
  O  O97  1  0.23052300  0.07246400  0.27819800  1
  O  O98  1  0.46215100  0.02534400  0.67118600  1
  O  O99  1  0.03784900  0.02534400  0.17118600  1
  O  O100  1  0.99757300  0.01772600  0.65387000  1
  O  O101  1  0.50242700  0.01772600  0.15387000  1
  O  O102  1  0.79978100  0.00404900  0.02344400  1
  O  O103  1  0.70021900  0.00404900  0.52344400  1
