# generated using pymatgen data_Mg16Si8HO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80532100 _cell_length_b 8.40810870 _cell_length_c 11.60526618 _cell_angle_alpha 90.09357696 _cell_angle_beta 90.03077263 _cell_angle_gamma 90.16460762 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Si8HO32 _chemical_formula_sum 'Mg16 Si8 H1 O32' _cell_volume 566.47040724 _cell_formula_units_Z 1 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 Mg Mg0 1 0.75086400 0.78280300 0.00060100 1.0 Mg Mg1 1 0.25010600 0.21691200 0.00066300 1.0 Mg Mg2 1 0.24859600 0.24885300 0.24882100 1.0 Mg Mg3 1 0.25443400 0.24591900 0.75266700 1.0 Mg Mg4 1 0.00848200 0.98160300 0.62554000 1.0 Mg Mg5 1 0.50128000 0.99973700 0.37720700 1.0 Mg Mg6 1 0.00312400 0.99608100 0.37656700 1.0 Mg Mg7 1 0.50288300 0.99954500 0.62314400 1.0 Mg Mg8 1 0.27972500 0.28916700 0.49479900 1.0 Mg Mg9 1 0.74867200 0.72049800 0.49913400 1.0 Mg Mg10 1 0.74727100 0.74961900 0.75198000 1.0 Mg Mg11 1 0.75037800 0.75093000 0.24918100 1.0 Mg Mg12 1 0.50043400 0.49993600 0.12206500 1.0 Mg Mg13 1 0.00367400 0.50126100 0.87912800 1.0 Mg Mg14 1 0.50116900 0.49935300 0.88023300 1.0 Mg Mg15 1 0.00074300 0.50094900 0.12178400 1.0 Si Si16 1 0.75053400 0.13381900 0.86911000 1.0 Si Si17 1 0.74929400 0.13424700 0.13074800 1.0 Si Si18 1 0.25084200 0.86591500 0.13089600 1.0 Si Si19 1 0.25084900 0.86514400 0.87051300 1.0 Si Si20 1 0.25037500 0.63506000 0.36885800 1.0 Si Si21 1 0.25026700 0.63144600 0.63083000 1.0 Si Si22 1 0.72712800 0.37921700 0.63016900 1.0 Si Si23 1 0.74814900 0.36940300 0.36696800 1.0 H H24 1 0.93972800 0.21677200 0.52916100 1.0 O O25 1 0.75280200 0.03633500 0.99971200 1.0 O O26 1 0.25102200 0.96477400 0.00042500 1.0 O O27 1 0.75130100 0.53687900 0.00013200 1.0 O O28 1 0.25061500 0.46239400 0.00051600 1.0 O O29 1 0.75151000 0.00581100 0.75917200 1.0 O O30 1 0.75124300 0.00637500 0.24026900 1.0 O O31 1 0.25022500 0.99463400 0.24046300 1.0 O O32 1 0.25129300 0.99340600 0.76039900 1.0 O O33 1 0.96516100 0.25499500 0.61221700 1.0 O O34 1 0.51448100 0.25648400 0.36948500 1.0 O O35 1 0.48838000 0.74447800 0.37262700 1.0 O O36 1 0.00976200 0.73767900 0.62807500 1.0 O O37 1 0.01233200 0.74350600 0.37292600 1.0 O O38 1 0.48699100 0.74236900 0.62785700 1.0 O O39 1 0.50371000 0.25937800 0.62814800 1.0 O O40 1 0.98431600 0.25777000 0.38150100 1.0 O O41 1 0.24935600 0.53527900 0.49926400 1.0 O O42 1 0.73707700 0.46952400 0.49847900 1.0 O O43 1 0.24958100 0.04144800 0.50201000 1.0 O O44 1 0.75366200 0.96691600 0.50132000 1.0 O O45 1 0.25030700 0.50419300 0.26134700 1.0 O O46 1 0.24878600 0.49992900 0.73801100 1.0 O O47 1 0.75101200 0.49550100 0.74191400 1.0 O O48 1 0.75228100 0.49555200 0.25867100 1.0 O O49 1 0.48827200 0.75746400 0.12789800 1.0 O O50 1 0.01271400 0.75691500 0.87226900 1.0 O O51 1 0.98845100 0.24339000 0.86787600 1.0 O O52 1 0.51151400 0.24227900 0.12747300 1.0 O O53 1 0.51306400 0.24232500 0.87278800 1.0 O O54 1 0.98722200 0.24359200 0.12909600 1.0 O O55 1 0.01303000 0.75731400 0.12779900 1.0 O O56 1 0.48760800 0.75616300 0.87295300 1.0