# generated using pymatgen
data_Li2FeH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12942428
_cell_length_b   9.34096700
_cell_length_c   9.46600493
_cell_angle_alpha   90.00000000
_cell_angle_beta   94.79262754
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeH8(SO6)2
_chemical_formula_sum   'Li8 Fe4 H32 S8 O48'
_cell_volume   1068.75370163
_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  0.15992100  0.64350100  0.24726300  1
  Li  Li1  1  0.21049300  0.24868700  0.29092600  1
  Li  Li2  1  0.28950700  0.74868700  0.70907400  1
  Li  Li3  1  0.34007900  0.14350100  0.75273700  1
  Li  Li4  1  0.65992100  0.85649900  0.24726300  1
  Li  Li5  1  0.71049300  0.25131300  0.29092600  1
  Li  Li6  1  0.78950700  0.75131300  0.70907400  1
  Li  Li7  1  0.84007900  0.35649900  0.75273700  1
  Fe  Fe8  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe9  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe10  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe11  1  0.50000000  0.50000000  0.00000000  1
  H  H12  1  0.05243400  0.27958400  0.94704200  1
  H  H13  1  0.06521000  0.71389900  0.98355400  1
  H  H14  1  0.07125100  0.01827600  0.72944100  1
  H  H15  1  0.05860500  0.01949900  0.28102900  1
  H  H16  1  0.06464100  0.64468500  0.74390500  1
  H  H17  1  0.06171300  0.75325800  0.61760300  1
  H  H18  1  0.07140700  0.24959500  0.62240200  1
  H  H19  1  0.08787200  0.36231600  0.74340000  1
  H  H20  1  0.41212800  0.86231600  0.25660000  1
  H  H21  1  0.42859300  0.74959500  0.37759800  1
  H  H22  1  0.43828700  0.25325800  0.38239700  1
  H  H23  1  0.43535900  0.14468500  0.25609500  1
  H  H24  1  0.44139500  0.51949900  0.71897100  1
  H  H25  1  0.42874900  0.51827600  0.27055900  1
  H  H26  1  0.43479000  0.21389900  0.01644600  1
  H  H27  1  0.44756600  0.77958400  0.05295800  1
  H  H28  1  0.55243400  0.22041600  0.94704200  1
  H  H29  1  0.56521000  0.78610100  0.98355400  1
  H  H30  1  0.57125100  0.48172400  0.72944100  1
  H  H31  1  0.55860500  0.48050100  0.28102900  1
  H  H32  1  0.56464100  0.85531500  0.74390500  1
  H  H33  1  0.56171300  0.74674200  0.61760300  1
  H  H34  1  0.57140700  0.25040500  0.62240200  1
  H  H35  1  0.58787200  0.13768400  0.74340000  1
  H  H36  1  0.91212800  0.63768400  0.25660000  1
  H  H37  1  0.92859300  0.75040500  0.37759800  1
  H  H38  1  0.93828700  0.24674200  0.38239700  1
  H  H39  1  0.93535900  0.35531500  0.25609500  1
  H  H40  1  0.94139500  0.98050100  0.71897100  1
  H  H41  1  0.92874900  0.98172400  0.27055900  1
  H  H42  1  0.93479000  0.28610100  0.01644600  1
  H  H43  1  0.94756600  0.72041600  0.05295800  1
  S  S44  1  0.21091200  0.50203600  0.96275900  1
  S  S45  1  0.22115600  0.00924500  0.53057800  1
  S  S46  1  0.27884400  0.50924500  0.46942200  1
  S  S47  1  0.28908800  0.00203600  0.03724100  1
  S  S48  1  0.71091200  0.99796400  0.96275900  1
  S  S49  1  0.72115600  0.49075500  0.53057800  1
  S  S50  1  0.77884400  0.99075500  0.46942200  1
  S  S51  1  0.78908800  0.49796400  0.03724100  1
  O  O52  1  0.01181500  0.97080700  0.77822100  1
  O  O53  1  0.02160000  0.67098000  0.65261400  1
  O  O54  1  0.03775900  0.33833300  0.65696800  1
  O  O55  1  0.01904400  0.77096100  0.04647400  1
  O  O56  1  0.15248800  0.62804400  0.88916900  1
  O  O57  1  0.17408800  0.36665200  0.89090700  1
  O  O58  1  0.16297800  0.10296600  0.62794100  1
  O  O59  1  0.15770200  0.53718500  0.43225700  1
  O  O60  1  0.19880700  0.85614800  0.56013800  1
  O  O61  1  0.19095200  0.04730000  0.38059900  1
  O  O62  1  0.16995600  0.02442600  0.04655400  1
  O  O63  1  0.18380400  0.49589700  0.11301200  1
  O  O64  1  0.31619600  0.99589700  0.88698800  1
  O  O65  1  0.33004400  0.52442600  0.95344600  1
  O  O66  1  0.30904800  0.54730000  0.61940100  1
  O  O67  1  0.30119300  0.35614800  0.43986200  1
  O  O68  1  0.34229800  0.03718500  0.56774300  1
  O  O69  1  0.33702200  0.60296600  0.37205900  1
  O  O70  1  0.32591200  0.86665200  0.10909300  1
  O  O71  1  0.34751200  0.12804400  0.11083100  1
  O  O72  1  0.48095600  0.27096100  0.95352600  1
  O  O73  1  0.46224100  0.83833300  0.34303200  1
  O  O74  1  0.47840000  0.17098000  0.34738600  1
  O  O75  1  0.51181500  0.52919300  0.77822100  1
  O  O76  1  0.48818500  0.47080700  0.22177900  1
  O  O77  1  0.52160000  0.82902000  0.65261400  1
  O  O78  1  0.53775900  0.16166700  0.65696800  1
  O  O79  1  0.51904400  0.72903900  0.04647400  1
  O  O80  1  0.65248800  0.87195600  0.88916900  1
  O  O81  1  0.67408800  0.13334800  0.89090700  1
  O  O82  1  0.66297800  0.39703400  0.62794100  1
  O  O83  1  0.65770200  0.96281500  0.43225700  1
  O  O84  1  0.69880700  0.64385200  0.56013800  1
  O  O85  1  0.69095200  0.45270000  0.38059900  1
  O  O86  1  0.66995600  0.47557400  0.04655400  1
  O  O87  1  0.68380400  0.00410300  0.11301200  1
  O  O88  1  0.81619600  0.50410300  0.88698800  1
  O  O89  1  0.83004400  0.97557400  0.95344600  1
  O  O90  1  0.80904800  0.95270000  0.61940100  1
  O  O91  1  0.80119300  0.14385200  0.43986200  1
  O  O92  1  0.84229800  0.46281500  0.56774300  1
  O  O93  1  0.83702200  0.89703400  0.37205900  1
  O  O94  1  0.82591200  0.63334800  0.10909300  1
  O  O95  1  0.84751200  0.37195600  0.11083100  1
  O  O96  1  0.98095600  0.22903900  0.95352600  1
  O  O97  1  0.96224100  0.66166700  0.34303200  1
  O  O98  1  0.97840000  0.32902000  0.34738600  1
  O  O99  1  0.98818500  0.02919300  0.22177900  1
