# generated using pymatgen
data_Li2FeH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58415200
_cell_length_b   7.42495445
_cell_length_c   10.53155489
_cell_angle_alpha   101.96428297
_cell_angle_beta   98.68972122
_cell_angle_gamma   110.07117225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeH4(SO5)2
_chemical_formula_sum   'Li4 Fe2 H8 S4 O20'
_cell_volume   389.31992331
_cell_formula_units_Z   2
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  0.79197400  0.22665100  0.58024700  1
  Li  Li1  1  0.86985200  0.29391900  0.13305700  1
  Li  Li2  1  0.13014800  0.70608100  0.86694300  1
  Li  Li3  1  0.20802600  0.77334900  0.41975300  1
  Fe  Fe4  1  0.49585600  0.48488300  0.75089400  1
  Fe  Fe5  1  0.50414400  0.51511700  0.24910600  1
  H  H6  1  0.66467600  0.19885200  0.79432500  1
  H  H7  1  0.39912800  0.09323500  0.67882000  1
  H  H8  1  0.50919100  0.18894800  0.28475500  1
  H  H9  1  0.39085700  0.11636300  0.13006300  1
  H  H10  1  0.60914300  0.88363700  0.86993700  1
  H  H11  1  0.49080900  0.81105200  0.71524500  1
  H  H12  1  0.60087200  0.90676500  0.32118000  1
  H  H13  1  0.33532400  0.80114800  0.20567500  1
  S  S14  1  0.13259500  0.27021100  0.93497200  1
  S  S15  1  0.15354700  0.26214000  0.42979800  1
  S  S16  1  0.84645300  0.73786000  0.57020200  1
  S  S17  1  0.86740500  0.72978900  0.06502800  1
  O  O18  1  0.27743100  0.14078800  0.92208100  1
  O  O19  1  0.56882000  0.21062100  0.70906800  1
  O  O20  1  0.33603300  0.15863300  0.41689200  1
  O  O21  1  0.84388800  0.15984400  0.91955400  1
  O  O22  1  0.87863700  0.12190600  0.41263800  1
  O  O23  1  0.77901200  0.58469400  0.92686300  1
  O  O24  1  0.16312100  0.38986700  0.83441600  1
  O  O25  1  0.22684700  0.40279600  0.56811100  1
  O  O26  1  0.15873900  0.38032400  0.32924400  1
  O  O27  1  0.53934800  0.22251300  0.20038800  1
  O  O28  1  0.46065200  0.77748700  0.79961200  1
  O  O29  1  0.84126100  0.61967600  0.67075600  1
  O  O30  1  0.77315300  0.59720400  0.43188900  1
  O  O31  1  0.83687900  0.61013300  0.16558400  1
  O  O32  1  0.22098800  0.41530600  0.07313700  1
  O  O33  1  0.12136300  0.87809400  0.58736200  1
  O  O34  1  0.15611200  0.84015600  0.08044600  1
  O  O35  1  0.66396700  0.84136700  0.58310800  1
  O  O36  1  0.43118000  0.78937900  0.29093200  1
  O  O37  1  0.72256900  0.85921200  0.07791900  1
