# generated using pymatgen data_C3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00883600 _cell_length_b 9.00883600 _cell_length_c 4.92408400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C3N _chemical_formula_sum 'C24 N8' _cell_volume 399.63435416 _cell_formula_units_Z 8 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 0.34171000 0.50000000 0.50000000 1.0 C C1 1 0.65829000 0.50000000 0.50000000 1.0 C C2 1 0.50000000 0.65829000 0.50000000 1.0 C C3 1 0.50000000 0.34171000 0.50000000 1.0 C C4 1 0.00000000 0.50000000 0.74955500 1.0 C C5 1 0.50000000 0.00000000 0.74955500 1.0 C C6 1 0.00000000 0.50000000 0.25044500 1.0 C C7 1 0.50000000 0.00000000 0.25044500 1.0 C C8 1 0.16171700 0.00000000 0.00000000 1.0 C C9 1 0.83828300 0.00000000 0.00000000 1.0 C C10 1 0.00000000 0.83828300 0.00000000 1.0 C C11 1 0.00000000 0.16171700 0.00000000 1.0 C C12 1 0.34245700 0.50000000 0.00000000 1.0 C C13 1 0.65754300 0.50000000 0.00000000 1.0 C C14 1 0.50000000 0.65754300 0.00000000 1.0 C C15 1 0.50000000 0.34245700 0.00000000 1.0 C C16 1 0.17114500 0.17114500 0.85981000 1.0 C C17 1 0.82885500 0.82885500 0.85981000 1.0 C C18 1 0.17114500 0.82885500 0.85981000 1.0 C C19 1 0.82885500 0.17114500 0.85981000 1.0 C C20 1 0.82885500 0.82885500 0.14019000 1.0 C C21 1 0.17114500 0.17114500 0.14019000 1.0 C C22 1 0.82885500 0.17114500 0.14019000 1.0 C C23 1 0.17114500 0.82885500 0.14019000 1.0 N N24 1 0.00000000 0.00000000 0.00000000 1.0 N N25 1 0.00000000 0.00000000 0.50000000 1.0 N N26 1 0.50000000 0.50000000 0.00000000 1.0 N N27 1 0.50000000 0.50000000 0.50000000 1.0 N N28 1 0.00000000 0.50000000 0.50000000 1.0 N N29 1 0.50000000 0.00000000 0.50000000 1.0 N N30 1 0.00000000 0.50000000 0.00000000 1.0 N N31 1 0.50000000 0.00000000 0.00000000 1.0