# generated using pymatgen data_Ce3Si6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.13010685 _cell_length_b 10.13010685 _cell_length_c 4.85368584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Si6N11 _chemical_formula_sum 'Ce6 Si12 N22' _cell_volume 498.08070170 _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 Ce Ce0 1 0.18018918 0.31981082 0.64575007 1.0 Ce Ce1 1 0.31981082 0.81981082 0.64575007 1.0 Ce Ce2 1 0.68018918 0.18018918 0.64575007 1.0 Ce Ce3 1 0.81981082 0.68018918 0.64575007 1.0 Ce Ce4 1 -0.00000000 0.00000000 0.64975199 1.0 Ce Ce5 1 0.50000000 0.50000000 0.64975199 1.0 Si Si6 1 0.20925237 0.07867008 0.11447236 1.0 Si Si7 1 0.07867008 0.79074763 0.11447236 1.0 Si Si8 1 0.92132992 0.20925237 0.11447236 1.0 Si Si9 1 0.79074763 0.92132992 0.11447236 1.0 Si Si10 1 0.70925237 0.42132992 0.11447236 1.0 Si Si11 1 0.29074763 0.57867008 0.11447236 1.0 Si Si12 1 0.42132992 0.29074763 0.11447236 1.0 Si Si13 1 0.57867008 0.70925237 0.11447236 1.0 Si Si14 1 0.11737772 0.61737772 0.60318494 1.0 Si Si15 1 0.61737772 0.88262228 0.60318494 1.0 Si Si16 1 0.38262228 0.11737772 0.60318494 1.0 Si Si17 1 0.88262228 0.38262228 0.60318494 1.0 N N18 1 0.23111374 0.07475763 0.46685520 1.0 N N19 1 0.07475763 0.76888626 0.46685520 1.0 N N20 1 0.92524237 0.23111374 0.46685520 1.0 N N21 1 0.76888626 0.92524237 0.46685520 1.0 N N22 1 0.73111374 0.42524237 0.46685520 1.0 N N23 1 0.26888626 0.57475763 0.46685520 1.0 N N24 1 0.42524237 0.26888626 0.46685520 1.0 N N25 1 0.57475763 0.73111374 0.46685520 1.0 N N26 1 0.15346411 0.65346411 0.95014418 1.0 N N27 1 0.65346411 0.84653589 0.95014418 1.0 N N28 1 0.34653589 0.15346411 0.95014418 1.0 N N29 1 0.84653589 0.34653589 0.95014418 1.0 N N30 1 0.17842682 0.92035718 0.00408885 1.0 N N31 1 0.92035718 0.82157318 0.00408885 1.0 N N32 1 0.07964282 0.17842682 0.00408885 1.0 N N33 1 0.82157318 0.07964282 0.00408885 1.0 N N34 1 0.67842682 0.57964282 0.00408885 1.0 N N35 1 0.32157318 0.42035718 0.00408885 1.0 N N36 1 0.57964282 0.32157318 0.00408885 1.0 N N37 1 0.42035718 0.67842682 0.00408885 1.0 N N38 1 -0.00000000 0.50000000 0.57819096 1.0 N N39 1 0.50000000 0.00000000 0.57819096 1.0