# generated using pymatgen data_SiMo12H24C6N3O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.86373653 _cell_length_b 12.86373653 _cell_length_c 12.86373657 _cell_angle_alpha 80.94879752 _cell_angle_beta 80.94879752 _cell_angle_gamma 80.94879690 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMo12H24C6N3O40 _chemical_formula_sum 'Si2 Mo24 H48 C12 N6 O80' _cell_volume 2056.68633970 _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 Si Si0 1 0.76511600 0.76511600 0.76511600 1.0 Si Si1 1 0.23488400 0.23488400 0.23488400 1.0 Mo Mo2 1 0.74619900 0.95078700 0.95078700 1.0 Mo Mo3 1 0.95078700 0.95078700 0.74619900 1.0 Mo Mo4 1 0.95078700 0.74619900 0.95078700 1.0 Mo Mo5 1 0.25380100 0.04921300 0.04921300 1.0 Mo Mo6 1 0.04921300 0.04921300 0.25380100 1.0 Mo Mo7 1 0.04921300 0.25380100 0.04921300 1.0 Mo Mo8 1 0.55019100 0.98057500 0.75569300 1.0 Mo Mo9 1 0.98057500 0.75569300 0.55019100 1.0 Mo Mo10 1 0.75569300 0.55019100 0.98057500 1.0 Mo Mo11 1 0.98057500 0.55019100 0.75569300 1.0 Mo Mo12 1 0.55019100 0.75569300 0.98057500 1.0 Mo Mo13 1 0.75569300 0.98057500 0.55019100 1.0 Mo Mo14 1 0.44980900 0.01942500 0.24430700 1.0 Mo Mo15 1 0.01942500 0.24430700 0.44980900 1.0 Mo Mo16 1 0.24430700 0.44980900 0.01942500 1.0 Mo Mo17 1 0.01942500 0.44980900 0.24430700 1.0 Mo Mo18 1 0.44980900 0.24430700 0.01942500 1.0 Mo Mo19 1 0.24430700 0.01942500 0.44980900 1.0 Mo Mo20 1 0.57923100 0.80396000 0.57923100 1.0 Mo Mo21 1 0.80396000 0.57923100 0.57923100 1.0 Mo Mo22 1 0.57923100 0.57923100 0.80396000 1.0 Mo Mo23 1 0.42076900 0.19604000 0.42076900 1.0 Mo Mo24 1 0.19604000 0.42076900 0.42076900 1.0 Mo Mo25 1 0.42076900 0.42076900 0.19604000 1.0 H H26 1 0.69106000 0.17043800 0.79039100 1.0 H H27 1 0.17043800 0.79039100 0.69106000 1.0 H H28 1 0.79039100 0.69106000 0.17043800 1.0 H H29 1 0.17043800 0.69106000 0.79039100 1.0 H H30 1 0.69106000 0.79039100 0.17043800 1.0 H H31 1 0.79039100 0.17043800 0.69106000 1.0 H H32 1 0.30894000 0.82956200 0.20960900 1.0 H H33 1 0.82956200 0.20960900 0.30894000 1.0 H H34 1 0.20960900 0.30894000 0.82956200 1.0 H H35 1 0.82956200 0.30894000 0.20960900 1.0 H H36 1 0.30894000 0.20960900 0.82956200 1.0 H H37 1 0.20960900 0.82956200 0.30894000 1.0 H H38 1 0.62694800 0.24391500 0.62694800 1.0 H H39 1 0.24391500 0.62694800 0.62694800 1.0 H H40 1 0.62694800 0.62694800 0.24391500 1.0 H H41 1 0.37305200 0.75608500 0.37305200 1.0 H H42 1 0.75608500 0.37305200 0.37305200 1.0 H H43 1 0.37305200 0.37305200 0.75608500 1.0 H H44 1 0.71619200 0.34209600 0.60841200 1.0 H H45 1 0.34209600 0.60841200 0.71619200 1.0 H H46 1 0.60841200 0.71619200 0.34209600 1.0 H H47 1 0.34209600 0.71619200 0.60841200 1.0 H H48 1 0.71619200 0.60841200 0.34209600 1.0 H H49 1 0.60841200 0.34209600 0.71619200 1.0 H H50 1 0.28380800 0.65790400 0.39158800 1.0 H H51 1 0.65790400 0.39158800 0.28380800 1.0 H H52 1 0.39158800 0.28380800 0.65790400 1.0 H H53 1 0.65790400 0.28380800 0.39158800 1.0 H H54 1 0.28380800 0.39158800 0.65790400 1.0 H H55 1 0.39158800 0.65790400 0.28380800 1.0 H H56 1 0.84612300 0.21272400 0.84612300 1.0 H H57 1 0.21272400 0.84612300 0.84612300 1.0 H H58 1 0.84612300 0.84612300 0.21272400 1.0 H H59 1 0.15387700 0.78727600 0.15387700 1.0 H H60 1 0.78727600 0.15387700 0.15387700 1.0 H H61 1 0.15387700 0.15387700 0.78727600 1.0 H H62 1 0.74123100 0.32303100 0.84904700 1.0 H H63 1 0.32303100 0.84904700 0.74123100 1.0 H H64 1 0.84904700 0.74123100 0.32303100 1.0 H H65 1 0.32303100 0.74123100 0.84904700 1.0 H H66 1 0.74123100 0.84904700 0.32303100 1.0 H H67 1 0.84904700 0.32303100 0.74123100 1.0 H H68 1 0.25876900 0.67696900 0.15095300 1.0 H H69 1 0.67696900 0.15095300 0.25876900 1.0 H H70 1 0.15095300 0.25876900 0.67696900 1.0 H H71 1 0.67696900 0.25876900 0.15095300 1.0 H H72 1 0.25876900 0.15095300 0.67696900 1.0 H H73 1 0.15095300 0.67696900 0.25876900 1.0 C C74 1 0.66687500 0.29252000 0.66687500 1.0 C C75 1 0.29252000 0.66687500 0.66687500 1.0 C C76 1 0.66687500 0.66687500 0.29252000 1.0 C C77 1 0.33312500 0.70748000 0.33312500 1.0 C C78 1 0.70748000 0.33312500 0.33312500 1.0 C C79 1 0.33312500 0.33312500 0.70748000 1.0 C C80 1 0.79790000 0.27374900 0.79790000 1.0 C C81 1 0.27374900 0.79790000 0.79790000 1.0 C C82 1 0.79790000 0.79790000 0.27374900 1.0 C C83 1 0.20210000 0.72625100 0.20210000 1.0 C C84 1 0.72625100 0.20210000 0.20210000 1.0 C C85 1 0.20210000 0.20210000 0.72625100 1.0 N N86 1 0.73715200 0.21937000 0.73715200 1.0 N N87 1 0.21937000 0.73715200 0.73715200 1.0 N N88 1 0.73715200 0.73715200 0.21937000 1.0 N N89 1 0.26284800 0.78063000 0.26284800 1.0 N N90 1 0.78063000 0.26284800 0.26284800 1.0 N N91 1 0.26284800 0.26284800 0.78063000 1.0 O O92 1 0.82937600 0.82937600 0.82937600 1.0 O O93 1 0.17062400 0.17062400 0.17062400 1.0 O O94 1 0.69012700 0.85097900 0.69012700 1.0 O O95 1 0.85097900 0.69012700 0.69012700 1.0 O O96 1 0.69012700 0.69012700 0.85097900 1.0 O O97 1 0.30987300 0.14902100 0.30987300 1.0 O O98 1 0.14902100 0.30987300 0.30987300 1.0 O O99 1 0.30987300 0.30987300 0.14902100 1.0 O O100 1 0.70862800 0.03996600 0.03996600 1.0 O O101 1 0.03996600 0.03996600 0.70862800 1.0 O O102 1 0.03996600 0.70862800 0.03996600 1.0 O O103 1 0.29137200 0.96003400 0.96003400 1.0 O O104 1 0.96003400 0.96003400 0.29137200 1.0 O O105 1 0.96003400 0.29137200 0.96003400 1.0 O O106 1 0.85763800 0.02006800 0.85763800 1.0 O O107 1 0.02006800 0.85763800 0.85763800 1.0 O O108 1 0.85763800 0.85763800 0.02006800 1.0 O O109 1 0.14236200 0.97993200 0.14236200 1.0 O O110 1 0.97993200 0.14236200 0.14236200 1.0 O O111 1 0.14236200 0.14236200 0.97993200 1.0 O O112 1 0.65143600 0.00337200 0.84511700 1.0 O O113 1 0.00337200 0.84511700 0.65143600 1.0 O O114 1 0.84511700 0.65143600 0.00337200 1.0 O O115 1 0.00337200 0.65143600 0.84511700 1.0 O O116 1 0.65143600 0.84511700 0.00337200 1.0 O O117 1 0.84511700 0.00337200 0.65143600 1.0 O O118 1 0.34856400 0.99662800 0.15488300 1.0 O O119 1 0.99662800 0.15488300 0.34856400 1.0 O O120 1 0.15488300 0.34856400 0.99662800 1.0 O O121 1 0.99662800 0.34856400 0.15488300 1.0 O O122 1 0.34856400 0.15488300 0.99662800 1.0 O O123 1 0.15488300 0.99662800 0.34856400 1.0 O O124 1 0.51606600 0.86606800 0.86606800 1.0 O O125 1 0.86606800 0.86606800 0.51606600 1.0 O O126 1 0.86606800 0.51606600 0.86606800 1.0 O O127 1 0.48393400 0.13393200 0.13393200 1.0 O O128 1 0.13393200 0.13393200 0.48393400 1.0 O O129 1 0.13393200 0.48393400 0.13393200 1.0 O O130 1 0.44862200 0.08142300 0.78031000 1.0 O O131 1 0.08142300 0.78031000 0.44862200 1.0 O O132 1 0.78031000 0.44862200 0.08142300 1.0 O O133 1 0.08142300 0.44862200 0.78031000 1.0 O O134 1 0.44862200 0.78031000 0.08142300 1.0 O O135 1 0.78031000 0.08142300 0.44862200 1.0 O O136 1 0.55137800 0.91857700 0.21969000 1.0 O O137 1 0.91857700 0.21969000 0.55137800 1.0 O O138 1 0.21969000 0.55137800 0.91857700 1.0 O O139 1 0.91857700 0.55137800 0.21969000 1.0 O O140 1 0.55137800 0.21969000 0.91857700 1.0 O O141 1 0.21969000 0.91857700 0.55137800 1.0 O O142 1 0.63554700 0.05323900 0.63554700 1.0 O O143 1 0.05323900 0.63554700 0.63554700 1.0 O O144 1 0.63554700 0.63554700 0.05323900 1.0 O O145 1 0.36445300 0.94676100 0.36445300 1.0 O O146 1 0.94676100 0.36445300 0.36445300 1.0 O O147 1 0.36445300 0.36445300 0.94676100 1.0 O O148 1 0.49326300 0.91469100 0.65511600 1.0 O O149 1 0.91469100 0.65511600 0.49326300 1.0 O O150 1 0.65511600 0.49326300 0.91469100 1.0 O O151 1 0.91469100 0.49326300 0.65511600 1.0 O O152 1 0.49326300 0.65511600 0.91469100 1.0 O O153 1 0.65511600 0.91469100 0.49326300 1.0 O O154 1 0.50673700 0.08530900 0.34488400 1.0 O O155 1 0.08530900 0.34488400 0.50673700 1.0 O O156 1 0.34488400 0.50673700 0.08530900 1.0 O O157 1 0.08530900 0.50673700 0.34488400 1.0 O O158 1 0.50673700 0.34488400 0.08530900 1.0 O O159 1 0.34488400 0.08530900 0.50673700 1.0 O O160 1 0.54244400 0.69954000 0.69954000 1.0 O O161 1 0.69954000 0.69954000 0.54244400 1.0 O O162 1 0.69954000 0.54244400 0.69954000 1.0 O O163 1 0.45755600 0.30046000 0.30046000 1.0 O O164 1 0.30046000 0.30046000 0.45755600 1.0 O O165 1 0.30046000 0.45755600 0.30046000 1.0 O O166 1 0.49446600 0.78659900 0.49446600 1.0 O O167 1 0.78659900 0.49446600 0.49446600 1.0 O O168 1 0.49446600 0.49446600 0.78659900 1.0 O O169 1 0.50553400 0.21340100 0.50553400 1.0 O O170 1 0.21340100 0.50553400 0.50553400 1.0 O O171 1 0.50553400 0.50553400 0.21340100 1.0