# generated using pymatgen
data_LiFeH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18235900
_cell_length_b   9.54801000
_cell_length_c   11.70714236
_cell_angle_alpha   83.59589596
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeH8(SO6)2
_chemical_formula_sum   'Li4 Fe4 H32 S8 O48'
_cell_volume   1019.99845805
_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  0.29051300  0.72762500  0.19139400  1
  Li  Li1  1  0.79051300  0.27237500  0.30860600  1
  Li  Li2  1  0.20948700  0.72762500  0.69139400  1
  Li  Li3  1  0.70948700  0.27237500  0.80860600  1
  Fe  Fe4  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
  H  H8  1  0.27849800  0.04910900  0.06116300  1
  H  H9  1  0.71990700  0.02235500  0.06143200  1
  H  H10  1  0.02940700  0.26336900  0.07823700  1
  H  H11  1  0.00681700  0.72519400  0.05722600  1
  H  H12  1  0.64474200  0.25708300  0.07375200  1
  H  H13  1  0.74451800  0.39166900  0.07995400  1
  H  H14  1  0.25270600  0.39561400  0.09398300  1
  H  H15  1  0.36729600  0.26910400  0.09786800  1
  H  H16  1  0.86729600  0.73089600  0.40213200  1
  H  H17  1  0.75270600  0.60438600  0.40601700  1
  H  H18  1  0.24451800  0.60833100  0.42004600  1
  H  H19  1  0.14474200  0.74291700  0.42624800  1
  H  H20  1  0.50681700  0.27480600  0.44277400  1
  H  H21  1  0.52940700  0.73663100  0.42176300  1
  H  H22  1  0.21990700  0.97764500  0.43856800  1
  H  H23  1  0.77849800  0.95089100  0.43883700  1
  H  H24  1  0.22150200  0.04910900  0.56116300  1
  H  H25  1  0.78009300  0.02235500  0.56143200  1
  H  H26  1  0.47059300  0.26336900  0.57823700  1
  H  H27  1  0.49318300  0.72519400  0.55722600  1
  H  H28  1  0.85525800  0.25708300  0.57375100  1
  H  H29  1  0.75548200  0.39166900  0.57995400  1
  H  H30  1  0.24729400  0.39561400  0.59398300  1
  H  H31  1  0.13270400  0.26910400  0.59786800  1
  H  H32  1  0.63270400  0.73089600  0.90213200  1
  H  H33  1  0.74729400  0.60438600  0.90601700  1
  H  H34  1  0.25548200  0.60833100  0.92004600  1
  H  H35  1  0.35525800  0.74291700  0.92624900  1
  H  H36  1  0.99318300  0.27480600  0.94277400  1
  H  H37  1  0.97059300  0.73663100  0.92176300  1
  H  H38  1  0.28009300  0.97764500  0.93856800  1
  H  H39  1  0.72150200  0.95089100  0.93883700  1
  S  S40  1  0.48963700  0.03164100  0.20725400  1
  S  S41  1  0.00134200  0.47422100  0.21706400  1
  S  S42  1  0.50134200  0.52577900  0.28293600  1
  S  S43  1  0.98963700  0.96835900  0.29274600  1
  S  S44  1  0.01036300  0.03164100  0.70725400  1
  S  S45  1  0.49865800  0.47422100  0.71706400  1
  S  S46  1  0.99865800  0.52577900  0.78293600  1
  S  S47  1  0.51036300  0.96835900  0.79274600  1
  O  O48  1  0.98811000  0.21084900  0.01611900  1
  O  O49  1  0.66897300  0.35122300  0.03101100  1
  O  O50  1  0.34551900  0.36653700  0.05707800  1
  O  O51  1  0.78034000  0.00110900  0.99412700  1
  O  O52  1  0.62887300  0.09458800  0.15721000  1
  O  O53  1  0.36466400  0.11950100  0.15840700  1
  O  O54  1  0.09578600  0.38756500  0.14956400  1
  O  O55  1  0.53098600  0.56676200  0.15666100  1
  O  O56  1  0.84583800  0.43545100  0.19764600  1
  O  O57  1  0.03166500  0.62550100  0.18659900  1
  O  O58  1  0.99708300  0.95415400  0.16677300  1
  O  O59  1  0.46829700  0.88498700  0.18642800  1
  O  O60  1  0.96829700  0.11501300  0.31357200  1
  O  O61  1  0.49708300  0.04584600  0.33322700  1
  O  O62  1  0.53166500  0.37449900  0.31340100  1
  O  O63  1  0.34583800  0.56454900  0.30235400  1
  O  O64  1  0.03098600  0.43323800  0.34333900  1
  O  O65  1  0.59578600  0.61243500  0.35043600  1
  O  O66  1  0.86466400  0.88049900  0.34159300  1
  O  O67  1  0.12887300  0.90541200  0.34279000  1
  O  O68  1  0.28034000  0.99889100  0.50587300  1
  O  O69  1  0.84551900  0.63346300  0.44292200  1
  O  O70  1  0.16897300  0.64877700  0.46898900  1
  O  O71  1  0.51189000  0.21084900  0.51611900  1
  O  O72  1  0.48811000  0.78915100  0.48388100  1
  O  O73  1  0.83102700  0.35122300  0.53101100  1
  O  O74  1  0.15448100  0.36653700  0.55707800  1
  O  O75  1  0.71966000  0.00110900  0.49412700  1
  O  O76  1  0.87112700  0.09458800  0.65721000  1
  O  O77  1  0.13533600  0.11950100  0.65840700  1
  O  O78  1  0.40421400  0.38756500  0.64956400  1
  O  O79  1  0.96901400  0.56676200  0.65666100  1
  O  O80  1  0.65416200  0.43545100  0.69764600  1
  O  O81  1  0.46833500  0.62550100  0.68659900  1
  O  O82  1  0.50291700  0.95415400  0.66677300  1
  O  O83  1  0.03170300  0.88498700  0.68642800  1
  O  O84  1  0.53170300  0.11501300  0.81357200  1
  O  O85  1  0.00291700  0.04584600  0.83322700  1
  O  O86  1  0.96833500  0.37449900  0.81340100  1
  O  O87  1  0.15416200  0.56454900  0.80235400  1
  O  O88  1  0.46901400  0.43323800  0.84333900  1
  O  O89  1  0.90421400  0.61243500  0.85043600  1
  O  O90  1  0.63533600  0.88049900  0.84159300  1
  O  O91  1  0.37112700  0.90541200  0.84279000  1
  O  O92  1  0.21966000  0.99889100  0.00587300  1
  O  O93  1  0.65448100  0.63346300  0.94292200  1
  O  O94  1  0.33102700  0.64877700  0.96898900  1
  O  O95  1  0.01189000  0.78915100  0.98388100  1
