# generated using pymatgen data_Al2H18SO15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.32025700 _cell_length_b 7.93183600 _cell_length_c 12.51082323 _cell_angle_alpha 68.59775676 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2H18SO15 _chemical_formula_sum 'Al8 H72 S4 O60' _cell_volume 1507.84139128 _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 Al Al0 1 0.91649900 0.23971000 0.95631100 1.0 Al Al1 1 0.41649900 0.76029000 0.54368900 1.0 Al Al2 1 0.08350100 0.76029000 0.04368900 1.0 Al Al3 1 0.58350100 0.23971000 0.45631100 1.0 Al Al4 1 0.95327100 0.90404600 0.18931000 1.0 Al Al5 1 0.45327100 0.09595400 0.31069000 1.0 Al Al6 1 0.04672900 0.09595400 0.81069000 1.0 Al Al7 1 0.54672900 0.90404600 0.68931000 1.0 H H8 1 0.15861100 0.17764600 0.11445500 1.0 H H9 1 0.65861100 0.82235400 0.38554500 1.0 H H10 1 0.84138900 0.82235400 0.88554500 1.0 H H11 1 0.34138900 0.17764600 0.61445500 1.0 H H12 1 0.91494600 0.53286700 0.67815600 1.0 H H13 1 0.41494600 0.46713300 0.82184400 1.0 H H14 1 0.08505400 0.46713300 0.32184400 1.0 H H15 1 0.58505400 0.53286700 0.17815600 1.0 H H16 1 0.79435900 0.10346500 0.18386300 1.0 H H17 1 0.29435900 0.89653500 0.31613700 1.0 H H18 1 0.20564100 0.89653500 0.81613700 1.0 H H19 1 0.70564100 0.10346500 0.68386300 1.0 H H20 1 0.06908400 0.62299700 0.76310800 1.0 H H21 1 0.56908400 0.37700300 0.73689200 1.0 H H22 1 0.93091600 0.37700300 0.23689200 1.0 H H23 1 0.43091600 0.62299700 0.26310800 1.0 H H24 1 0.82892600 0.53492100 0.90285200 1.0 H H25 1 0.32892600 0.46507900 0.59714800 1.0 H H26 1 0.17107400 0.46507900 0.09714800 1.0 H H27 1 0.67107400 0.53492100 0.40285200 1.0 H H28 1 0.77414900 0.34379200 0.91321000 1.0 H H29 1 0.27414900 0.65620800 0.58679000 1.0 H H30 1 0.22585100 0.65620800 0.08679000 1.0 H H31 1 0.72585100 0.34379200 0.41321000 1.0 H H32 1 0.81996900 0.74675200 0.18711200 1.0 H H33 1 0.31996900 0.25324800 0.31288800 1.0 H H34 1 0.18003100 0.25324800 0.81288800 1.0 H H35 1 0.68003100 0.74675200 0.68711200 1.0 H H36 1 0.87560400 0.62184200 0.30644500 1.0 H H37 1 0.37560400 0.37815800 0.19355500 1.0 H H38 1 0.12439600 0.37815800 0.69355500 1.0 H H39 1 0.62439600 0.62184200 0.80644500 1.0 H H40 1 0.96123500 0.02992500 0.34938300 1.0 H H41 1 0.46123500 0.97007500 0.15061700 1.0 H H42 1 0.03876500 0.97007500 0.65061700 1.0 H H43 1 0.53876500 0.02992500 0.84938300 1.0 H H44 1 0.03970300 0.88870100 0.36022500 1.0 H H45 1 0.53970300 0.11129900 0.13977500 1.0 H H46 1 0.96029700 0.11129900 0.63977500 1.0 H H47 1 0.46029700 0.88870100 0.86022500 1.0 H H48 1 0.78383400 0.15122000 0.29782300 1.0 H H49 1 0.28383400 0.84878000 0.20217700 1.0 H H50 1 0.21616600 0.84878000 0.70217700 1.0 H H51 1 0.71616600 0.15122000 0.79782300 1.0 H H52 1 0.70073100 0.39890800 0.12519700 1.0 H H53 1 0.20073100 0.60109200 0.37480300 1.0 H H54 1 0.29926900 0.60109200 0.87480300 1.0 H H55 1 0.79926900 0.39890800 0.62519700 1.0 H H56 1 0.73763500 0.45329700 0.12859000 1.0 H H57 1 0.23763500 0.54670300 0.37141000 1.0 H H58 1 0.26236500 0.54670300 0.87141000 1.0 H H59 1 0.76236500 0.45329700 0.62859000 1.0 H H60 1 0.69159700 0.74594800 0.12881600 1.0 H H61 1 0.19159700 0.25405200 0.37118400 1.0 H H62 1 0.30840300 0.25405200 0.87118400 1.0 H H63 1 0.80840300 0.74594800 0.62881600 1.0 H H64 1 0.75686200 0.86363900 0.82981200 1.0 H H65 1 0.25686200 0.13636100 0.67018800 1.0 H H66 1 0.24313800 0.13636100 0.17018800 1.0 H H67 1 0.74313800 0.86363900 0.32981200 1.0 H H68 1 0.75397500 0.76532200 0.02924500 1.0 H H69 1 0.25397500 0.23467800 0.47075500 1.0 H H70 1 0.24602500 0.23467800 0.97075500 1.0 H H71 1 0.74602500 0.76532200 0.52924500 1.0 H H72 1 0.90203400 0.28269300 0.15560500 1.0 H H73 1 0.40203400 0.71730700 0.34439500 1.0 H H74 1 0.09796600 0.71730700 0.84439500 1.0 H H75 1 0.59796600 0.28269300 0.65560500 1.0 H H76 1 0.94222000 0.61212700 0.64673000 1.0 H H77 1 0.44222000 0.38787300 0.85327000 1.0 H H78 1 0.05778000 0.38787300 0.35327000 1.0 H H79 1 0.55778000 0.61212700 0.14673000 1.0 S S80 1 0.87551400 0.27288300 0.45101900 1.0 S S81 1 0.37551400 0.72711700 0.04898100 1.0 S S82 1 0.12448600 0.72711700 0.54898100 1.0 S S83 1 0.62448600 0.27288300 0.95101900 1.0 O O84 1 0.78980400 0.24726600 0.41029200 1.0 O O85 1 0.28980400 0.75273400 0.08970800 1.0 O O86 1 0.21019600 0.75273400 0.58970800 1.0 O O87 1 0.71019600 0.24726600 0.91029200 1.0 O O88 1 0.89118300 0.46877900 0.41874600 1.0 O O89 1 0.39118300 0.53122100 0.08125400 1.0 O O90 1 0.10881700 0.53122100 0.58125400 1.0 O O91 1 0.60881700 0.46877900 0.91874600 1.0 O O92 1 0.93461100 0.19393800 0.39190400 1.0 O O93 1 0.43461100 0.80606200 0.10809600 1.0 O O94 1 0.06538900 0.80606200 0.60809600 1.0 O O95 1 0.56538900 0.19393800 0.89190400 1.0 O O96 1 0.88049000 0.17877800 0.57713800 1.0 O O97 1 0.38049000 0.82122200 0.92286200 1.0 O O98 1 0.11951000 0.82122200 0.42286200 1.0 O O99 1 0.61951000 0.17877800 0.07713800 1.0 O O100 1 0.07873300 0.23441600 0.99888500 1.0 O O101 1 0.57873300 0.76558400 0.50111500 1.0 O O102 1 0.92126700 0.76558400 0.00111500 1.0 O O103 1 0.42126700 0.23441600 0.49888500 1.0 O O104 1 0.95948900 0.17366100 0.85513500 1.0 O O105 1 0.45948900 0.82633900 0.64486500 1.0 O O106 1 0.04051100 0.82633900 0.14486500 1.0 O O107 1 0.54051100 0.17366100 0.35513500 1.0 O O108 1 0.90313900 0.09795200 0.09673400 1.0 O O109 1 0.40313900 0.90204800 0.40326600 1.0 O O110 1 0.09686100 0.90204800 0.90326600 1.0 O O111 1 0.59686100 0.09795200 0.59673400 1.0 O O112 1 0.90716500 0.40365200 0.16054300 1.0 O O113 1 0.40716500 0.59634800 0.33945700 1.0 O O114 1 0.09283500 0.59634800 0.83945700 1.0 O O115 1 0.59283500 0.40365200 0.66054300 1.0 O O116 1 0.83703200 0.40603100 0.91124900 1.0 O O117 1 0.33703200 0.59396900 0.58875100 1.0 O O118 1 0.16296800 0.59396900 0.08875100 1.0 O O119 1 0.66296800 0.40603100 0.41124900 1.0 O O120 1 0.87171600 0.73879500 0.23512100 1.0 O O121 1 0.37171600 0.26120500 0.26487900 1.0 O O122 1 0.12828400 0.26120500 0.76487900 1.0 O O123 1 0.62828400 0.73879500 0.73512100 1.0 O O124 1 0.98662600 0.94403600 0.31634600 1.0 O O125 1 0.48662600 0.05596400 0.18365400 1.0 O O126 1 0.01337400 0.05596400 0.68365400 1.0 O O127 1 0.51337400 0.94403600 0.81634600 1.0 O O128 1 0.77520700 0.05905500 0.26310600 1.0 O O129 1 0.27520700 0.94094500 0.23689400 1.0 O O130 1 0.22479300 0.94094500 0.73689400 1.0 O O131 1 0.72479300 0.05905500 0.76310600 1.0 O O132 1 0.74595900 0.79001400 0.10082200 1.0 O O133 1 0.24595900 0.20998600 0.39917800 1.0 O O134 1 0.25404100 0.20998600 0.89917800 1.0 O O135 1 0.75404100 0.79001400 0.60082200 1.0 O O136 1 0.79044800 0.75880000 0.88444500 1.0 O O137 1 0.29044800 0.24120000 0.61555500 1.0 O O138 1 0.20955200 0.24120000 0.11555500 1.0 O O139 1 0.70955200 0.75880000 0.38444500 1.0 O O140 1 0.97744500 0.65706700 0.99931700 1.0 O O141 1 0.47744500 0.34293300 0.50068300 1.0 O O142 1 0.02255500 0.34293300 0.00068300 1.0 O O143 1 0.52255500 0.65706700 0.49931700 1.0