# generated using pymatgen data_Mg16Si8HO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21056300 _cell_length_b 8.21003517 _cell_length_c 8.23272265 _cell_angle_alpha 89.85546476 _cell_angle_beta 89.56547138 _cell_angle_gamma 89.88986828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Si8HO32 _chemical_formula_sum 'Mg16 Si8 H1 O32' _cell_volume 554.94096127 _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 0.37779300 0.63391600 0.37697300 1.0 Mg Mg1 1 0.87288400 0.37549000 0.12374000 1.0 Mg Mg2 1 0.62533100 0.87483900 0.87499400 1.0 Mg Mg3 1 0.12565600 0.12199400 0.62678200 1.0 Mg Mg4 1 0.87473600 0.62565300 0.87583000 1.0 Mg Mg5 1 0.39130100 0.37988500 0.65093300 1.0 Mg Mg6 1 0.12375900 0.87405900 0.37461300 1.0 Mg Mg7 1 0.62693700 0.12390800 0.12434900 1.0 Mg Mg8 1 0.87366400 0.12338000 0.37477900 1.0 Mg Mg9 1 0.37585200 0.87269800 0.12369300 1.0 Mg Mg10 1 0.12320100 0.37483700 0.87374600 1.0 Mg Mg11 1 0.62687700 0.62834300 0.62416500 1.0 Mg Mg12 1 0.37524300 0.12103600 0.87305300 1.0 Mg Mg13 1 0.87483400 0.87571700 0.62514900 1.0 Mg Mg14 1 0.63151000 0.37594400 0.37859200 1.0 Mg Mg15 1 0.12445200 0.62626600 0.12392000 1.0 Si Si16 1 0.99927200 0.99915000 0.99957400 1.0 Si Si17 1 0.24990900 0.75041300 0.75007400 1.0 Si Si18 1 0.49962800 0.00203700 0.49993800 1.0 Si Si19 1 0.75008700 0.75025500 0.24973100 1.0 Si Si20 1 0.50052800 0.50073200 0.00439800 1.0 Si Si21 1 0.75191800 0.24939500 0.75056900 1.0 Si Si22 1 0.99794200 0.50274600 0.49748500 1.0 Si Si23 1 0.23895900 0.23692600 0.23286100 1.0 H H24 1 0.25179500 0.36689000 0.45164700 1.0 O O25 1 0.63413300 0.37011200 0.63159400 1.0 O O26 1 0.13137400 0.62973300 0.86775900 1.0 O O27 1 0.37038800 0.12806700 0.12643600 1.0 O O28 1 0.86810500 0.86789700 0.36899600 1.0 O O29 1 0.61724400 0.12220500 0.38042600 1.0 O O30 1 0.11909100 0.88176900 0.11855000 1.0 O O31 1 0.88193700 0.61846900 0.61946400 1.0 O O32 1 0.38063200 0.38025500 0.88968900 1.0 O O33 1 0.12798700 0.36805300 0.12609200 1.0 O O34 1 0.63064500 0.63014600 0.36935400 1.0 O O35 1 0.87044500 0.13172200 0.63036400 1.0 O O36 1 0.36874800 0.86790100 0.86819600 1.0 O O37 1 0.11919000 0.11923800 0.88131100 1.0 O O38 1 0.61816400 0.88275200 0.61835600 1.0 O O39 1 0.38032400 0.61805400 0.12301200 1.0 O O40 1 0.88290000 0.38106600 0.38091700 1.0 O O41 1 0.13155500 0.86854900 0.63062300 1.0 O O42 1 0.63110100 0.13185500 0.86850200 1.0 O O43 1 0.86878200 0.63061500 0.13125900 1.0 O O44 1 0.34739900 0.36286200 0.37070800 1.0 O O45 1 0.12066100 0.61858600 0.37981100 1.0 O O46 1 0.61620400 0.38058000 0.12440700 1.0 O O47 1 0.38104000 0.12352300 0.61841300 1.0 O O48 1 0.88122100 0.88119900 0.88101300 1.0 O O49 1 0.63105700 0.86843600 0.13132800 1.0 O O50 1 0.12843700 0.12847900 0.36565700 1.0 O O51 1 0.37013200 0.63042100 0.63108600 1.0 O O52 1 0.86976000 0.36903300 0.86746000 1.0 O O53 1 0.61802500 0.61760300 0.88195500 1.0 O O54 1 0.12825300 0.38098500 0.60765800 1.0 O O55 1 0.88138900 0.11920100 0.11884200 1.0 O O56 1 0.38080900 0.88439600 0.38130500 1.0