# generated using pymatgen data_Mg16Si8HO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07389800 _cell_length_b 9.66887600 _cell_length_c 10.47233939 _cell_angle_alpha 89.11920803 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Si8HO32 _chemical_formula_sum 'Mg16 Si8 H1 O32' _cell_volume 614.94443429 _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 0.25731100 0.99499700 0.99353400 1.0 Mg Mg1 1 0.25816700 0.75618000 0.50251000 1.0 Mg Mg2 1 0.74268900 0.99499700 0.99353400 1.0 Mg Mg3 1 0.74183300 0.75618000 0.50251000 1.0 Mg Mg4 1 0.50000000 0.49971500 0.27914700 1.0 Mg Mg5 1 0.00000000 0.75509000 0.21939500 1.0 Mg Mg6 1 0.00000000 0.99199500 0.72127400 1.0 Mg Mg7 1 0.50000000 0.74218700 0.77875900 1.0 Mg Mg8 1 0.25475000 0.49796300 0.00107300 1.0 Mg Mg9 1 0.26142800 0.24459900 0.51019800 1.0 Mg Mg10 1 0.74525000 0.49796300 0.00107300 1.0 Mg Mg11 1 0.73857200 0.24459900 0.51019800 1.0 Mg Mg12 1 0.50000000 0.00435900 0.27616100 1.0 Mg Mg13 1 0.00000000 0.23256300 0.19647100 1.0 Mg Mg14 1 0.00000000 0.49684500 0.72518500 1.0 Mg Mg15 1 0.50000000 0.24916100 0.78037600 1.0 Si Si16 1 0.50000000 0.78433600 0.09444300 1.0 Si Si17 1 0.00000000 0.55295800 0.41629800 1.0 Si Si18 1 0.00000000 0.71071000 0.90607100 1.0 Si Si19 1 0.50000000 0.96285700 0.59688300 1.0 Si Si20 1 0.50000000 0.28359600 0.09123400 1.0 Si Si21 1 0.00000000 0.03808200 0.40528700 1.0 Si Si22 1 0.00000000 0.21008900 0.89817400 1.0 Si Si23 1 0.50000000 0.46421200 0.59517400 1.0 H H24 1 0.00000000 0.34777400 0.35029800 1.0 O O25 1 0.50000000 0.61469400 0.09484200 1.0 O O26 1 0.00000000 0.86860600 0.40713700 1.0 O O27 1 0.00000000 0.87982500 0.90454600 1.0 O O28 1 0.50000000 0.63368000 0.59216900 1.0 O O29 1 0.50000000 0.89412900 0.45045600 1.0 O O30 1 0.00000000 0.63760500 0.05243900 1.0 O O31 1 0.00000000 0.62351900 0.55907600 1.0 O O32 1 0.50000000 0.85659000 0.94707500 1.0 O O33 1 0.28873800 0.85971400 0.16085400 1.0 O O34 1 0.22422900 0.61299800 0.34260200 1.0 O O35 1 0.78873800 0.63643100 0.83889700 1.0 O O36 1 0.72137600 0.88745400 0.66423500 1.0 O O37 1 0.21126200 0.63643100 0.83889700 1.0 O O38 1 0.27862400 0.88745400 0.66423500 1.0 O O39 1 0.71126200 0.85971400 0.16085400 1.0 O O40 1 0.77577100 0.61299800 0.34260200 1.0 O O41 1 0.50000000 0.11399300 0.08715100 1.0 O O42 1 0.00000000 0.37923200 0.44477500 1.0 O O43 1 0.00000000 0.37882200 0.90770400 1.0 O O44 1 0.50000000 0.13170700 0.59699900 1.0 O O45 1 0.50000000 0.38753600 0.45153400 1.0 O O46 1 0.00000000 0.12751800 0.04087300 1.0 O O47 1 0.00000000 0.10806200 0.55150900 1.0 O O48 1 0.50000000 0.36093000 0.94665100 1.0 O O49 1 0.28741500 0.35562400 0.16000200 1.0 O O50 1 0.22183500 0.11334600 0.33702000 1.0 O O51 1 0.78765400 0.13747800 0.83152900 1.0 O O52 1 0.72074900 0.38982700 0.66560100 1.0 O O53 1 0.21234600 0.13747800 0.83152900 1.0 O O54 1 0.27925100 0.38982700 0.66560100 1.0 O O55 1 0.71258500 0.35562400 0.16000200 1.0 O O56 1 0.77816500 0.11334600 0.33702000 1.0