# generated using pymatgen
data_LiFeH12(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89535800
_cell_length_b   6.02515700
_cell_length_c   8.99011282
_cell_angle_alpha   74.32077665
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeH12(SO7)2
_chemical_formula_sum   'Li2 Fe2 H24 S4 O28'
_cell_volume   620.35817731
_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  0.10543900  0.64810800  0.35160000  1
  Li  Li1  1  0.60543900  0.35189200  0.64840000  1
  Fe  Fe2  1  0.00034500  0.99669200  0.75303800  1
  Fe  Fe3  1  0.50034500  0.00330800  0.24696200  1
  H  H4  1  0.06649900  0.33197400  0.86155600  1
  H  H5  1  0.85617200  0.65160900  0.78443000  1
  H  H6  1  0.40180900  0.06328800  0.96708300  1
  H  H7  1  0.63544600  0.09304900  0.00046100  1
  H  H8  1  0.30949800  0.99482300  0.10528400  1
  H  H9  1  0.10217800  0.66303900  0.96393200  1
  H  H10  1  0.60217800  0.33696100  0.03606800  1
  H  H11  1  0.80949800  0.00517700  0.89471600  1
  H  H12  1  0.13544600  0.90695100  0.99953900  1
  H  H13  1  0.90180900  0.93671200  0.03291700  1
  H  H14  1  0.35617200  0.34839100  0.21557000  1
  H  H15  1  0.56649900  0.66802600  0.13844400  1
  H  H16  1  0.44385600  0.34148800  0.35650700  1
  H  H17  1  0.64789700  0.65784100  0.28728600  1
  H  H18  1  0.09232900  0.06964900  0.47171300  1
  H  H19  1  0.86819200  0.09032000  0.50730900  1
  H  H20  1  0.19090700  0.99045800  0.60011000  1
  H  H21  1  0.40872200  0.66754700  0.46162700  1
  H  H22  1  0.90872200  0.33245300  0.53837300  1
  H  H23  1  0.69090700  0.00954200  0.39989000  1
  H  H24  1  0.36819200  0.90968000  0.49269100  1
  H  H25  1  0.59232900  0.93035100  0.52828700  1
  H  H26  1  0.14789700  0.34215900  0.71271400  1
  H  H27  1  0.94385600  0.65851200  0.64349300  1
  S  S28  1  0.63576800  0.73663600  0.83065400  1
  S  S29  1  0.13576800  0.26336400  0.16934600  1
  S  S30  1  0.86356300  0.73106300  0.35626100  1
  S  S31  1  0.36356300  0.26893700  0.64373900  1
  O  O32  1  0.07117900  0.29535800  0.75839400  1
  O  O33  1  0.42023200  0.21937500  0.79471300  1
  O  O34  1  0.89051800  0.02181900  0.92046500  1
  O  O35  1  0.73068000  0.58504300  0.81003100  1
  O  O36  1  0.67682400  0.96866900  0.84397600  1
  O  O37  1  0.11364400  0.83377100  0.91719200  1
  O  O38  1  0.07510400  0.38485000  0.02452500  1
  O  O39  1  0.57510400  0.61515000  0.97547500  1
  O  O40  1  0.61364400  0.16622900  0.08280800  1
  O  O41  1  0.17682400  0.03133100  0.15602400  1
  O  O42  1  0.23068000  0.41495700  0.18996900  1
  O  O43  1  0.39051800  0.97818100  0.07953500  1
  O  O44  1  0.43541000  0.30323800  0.25467500  1
  O  O45  1  0.05968600  0.22905600  0.30400200  1
  O  O46  1  0.92023200  0.78062500  0.20528700  1
  O  O47  1  0.57117900  0.70464200  0.24160600  1
  O  O48  1  0.60899900  0.03215800  0.42044800  1
  O  O49  1  0.76641400  0.57090200  0.37128700  1
  O  O50  1  0.82482700  0.94572400  0.39328100  1
  O  O51  1  0.38854500  0.83150000  0.41015800  1
  O  O52  1  0.45356100  0.38670300  0.52714100  1
  O  O53  1  0.95356100  0.61329700  0.47285900  1
  O  O54  1  0.88854500  0.16850000  0.58984200  1
  O  O55  1  0.32482700  0.05427600  0.60671900  1
  O  O56  1  0.26641400  0.42909800  0.62871300  1
  O  O57  1  0.10899900  0.96784200  0.57955200  1
  O  O58  1  0.55968600  0.77094400  0.69599800  1
  O  O59  1  0.93541000  0.69676200  0.74532500  1
