# generated using pymatgen data_C8I3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86380800 _cell_length_b 13.47529100 _cell_length_c 14.03593700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C8I3N4 _chemical_formula_sum 'C32 I12 N16' _cell_volume 1676.48589160 _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 C C0 1 0.60280800 0.32662800 0.01181000 1.0 C C1 1 0.89719200 0.17337200 0.51181000 1.0 C C2 1 0.39719200 0.82662800 0.98819000 1.0 C C3 1 0.10280800 0.67337200 0.48819000 1.0 C C4 1 0.39719200 0.67337200 0.98819000 1.0 C C5 1 0.10280800 0.82662800 0.48819000 1.0 C C6 1 0.60280800 0.17337200 0.01181000 1.0 C C7 1 0.89719200 0.32662800 0.51181000 1.0 C C8 1 0.37868300 0.34973700 0.93296500 1.0 C C9 1 0.12131700 0.15026300 0.43296500 1.0 C C10 1 0.62131700 0.84973700 0.06703500 1.0 C C11 1 0.87868300 0.65026300 0.56703500 1.0 C C12 1 0.62131700 0.65026300 0.06703500 1.0 C C13 1 0.87868300 0.84973700 0.56703500 1.0 C C14 1 0.37868300 0.15026300 0.93296500 1.0 C C15 1 0.12131700 0.34973700 0.43296500 1.0 C C16 1 0.68551600 0.25000000 0.03366300 1.0 C C17 1 0.81448400 0.25000000 0.53366300 1.0 C C18 1 0.31448400 0.75000000 0.96633700 1.0 C C19 1 0.18551600 0.75000000 0.46633700 1.0 C C20 1 0.32860500 0.25000000 0.07492300 1.0 C C21 1 0.17139500 0.25000000 0.57492300 1.0 C C22 1 0.67139500 0.75000000 0.92507700 1.0 C C23 1 0.82860500 0.75000000 0.42507700 1.0 C C24 1 0.37362600 0.25000000 0.24800700 1.0 C C25 1 0.12637400 0.25000000 0.74800700 1.0 C C26 1 0.62637400 0.75000000 0.75199300 1.0 C C27 1 0.87362600 0.75000000 0.25199300 1.0 C C28 1 0.44249700 0.25000000 0.32722800 1.0 C C29 1 0.05750300 0.25000000 0.82722800 1.0 C C30 1 0.55750300 0.75000000 0.67277200 1.0 C C31 1 0.94249700 0.75000000 0.17277200 1.0 I I32 1 0.06711100 0.91583100 0.81520600 1.0 I I33 1 0.43288900 0.58416900 0.31520600 1.0 I I34 1 0.93288900 0.41583100 0.18479400 1.0 I I35 1 0.56711100 0.08416900 0.68479400 1.0 I I36 1 0.93288900 0.08416900 0.18479400 1.0 I I37 1 0.56711100 0.41583100 0.68479400 1.0 I I38 1 0.06711100 0.58416900 0.81520600 1.0 I I39 1 0.43288900 0.91583100 0.31520600 1.0 I I40 1 0.00000000 0.00000000 0.00000000 1.0 I I41 1 0.50000000 0.50000000 0.50000000 1.0 I I42 1 0.00000000 0.50000000 0.00000000 1.0 I I43 1 0.50000000 0.00000000 0.50000000 1.0 N N44 1 0.33877900 0.25000000 0.15919500 1.0 N N45 1 0.16122100 0.25000000 0.65919500 1.0 N N46 1 0.66122100 0.75000000 0.84080500 1.0 N N47 1 0.83877900 0.75000000 0.34080500 1.0 N N48 1 0.50447200 0.38308600 0.97813300 1.0 N N49 1 0.99552800 0.11691400 0.47813300 1.0 N N50 1 0.49552800 0.88308600 0.02186700 1.0 N N51 1 0.00447200 0.61691400 0.52186700 1.0 N N52 1 0.49552800 0.61691400 0.02186700 1.0 N N53 1 0.00447200 0.88308600 0.52186700 1.0 N N54 1 0.50447200 0.11691400 0.97813300 1.0 N N55 1 0.99552800 0.38308600 0.47813300 1.0 N N56 1 0.32299400 0.25000000 0.98216500 1.0 N N57 1 0.17700600 0.25000000 0.48216500 1.0 N N58 1 0.67700600 0.75000000 0.01783500 1.0 N N59 1 0.82299400 0.75000000 0.51783500 1.0