# generated using pymatgen data_C3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42098000 _cell_length_b 7.42098000 _cell_length_c 6.09131900 _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 335.45468851 _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 0.31267500 0.50000000 0.50000000 1.0 C C1 1 0.68732500 0.50000000 0.50000000 1.0 C C2 1 0.50000000 0.68732500 0.50000000 1.0 C C3 1 0.50000000 0.31267500 0.50000000 1.0 C C4 1 0.00000000 0.50000000 0.70338500 1.0 C C5 1 0.50000000 0.00000000 0.70338500 1.0 C C6 1 0.00000000 0.50000000 0.29661500 1.0 C C7 1 0.50000000 0.00000000 0.29661500 1.0 C C8 1 0.21063000 0.00000000 0.00000000 1.0 C C9 1 0.78937000 0.00000000 0.00000000 1.0 C C10 1 0.00000000 0.78937000 0.00000000 1.0 C C11 1 0.00000000 0.21063000 0.00000000 1.0 C C12 1 0.27269200 0.50000000 0.00000000 1.0 C C13 1 0.72730800 0.50000000 0.00000000 1.0 C C14 1 0.50000000 0.72730800 0.00000000 1.0 C C15 1 0.50000000 0.27269200 0.00000000 1.0 C C16 1 0.20571500 0.20571500 0.88284000 1.0 C C17 1 0.79428500 0.79428500 0.88284000 1.0 C C18 1 0.20571500 0.79428500 0.88284000 1.0 C C19 1 0.79428500 0.20571500 0.88284000 1.0 C C20 1 0.79428500 0.79428500 0.11716000 1.0 C C21 1 0.20571500 0.20571500 0.11716000 1.0 C C22 1 0.79428500 0.20571500 0.11716000 1.0 C C23 1 0.20571500 0.79428500 0.11716000 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