# generated using pymatgen data_La2Si4CN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24970400 _cell_length_b 11.60697300 _cell_length_c 13.53468500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Si4CN6 _chemical_formula_sum 'La8 Si16 C4 N24' _cell_volume 824.71129700 _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 La La0 1 0.25000000 0.91484000 0.86148900 1.0 La La1 1 0.75000000 0.07630600 0.58701100 1.0 La La2 1 0.25000000 0.42369400 0.08701100 1.0 La La3 1 0.75000000 0.57630600 0.91298900 1.0 La La4 1 0.25000000 0.41484000 0.63851100 1.0 La La5 1 0.25000000 0.92369400 0.41298900 1.0 La La6 1 0.75000000 0.58516000 0.36148900 1.0 La La7 1 0.75000000 0.08516000 0.13851100 1.0 Si Si8 1 0.25000000 0.16464400 0.99972600 1.0 Si Si9 1 0.25000000 0.66464400 0.50027400 1.0 Si Si10 1 0.00641600 0.30013900 0.31676300 1.0 Si Si11 1 0.75000000 0.47383000 0.70058100 1.0 Si Si12 1 0.99358400 0.19986100 0.81676300 1.0 Si Si13 1 0.25000000 0.52617000 0.29941900 1.0 Si Si14 1 0.99358400 0.69986100 0.68323700 1.0 Si Si15 1 0.75000000 0.83535600 0.00027400 1.0 Si Si16 1 0.49358400 0.80013900 0.18323700 1.0 Si Si17 1 0.75000000 0.97383000 0.79941900 1.0 Si Si18 1 0.50641600 0.19986100 0.81676300 1.0 Si Si19 1 0.75000000 0.33535600 0.49972600 1.0 Si Si20 1 0.25000000 0.02617000 0.20058100 1.0 Si Si21 1 0.00641600 0.80013900 0.18323700 1.0 Si Si22 1 0.49358400 0.30013900 0.31676300 1.0 Si Si23 1 0.50641600 0.69986100 0.68323700 1.0 C C24 1 0.25000000 0.19630500 0.52919400 1.0 C C25 1 0.75000000 0.30369500 0.02919400 1.0 C C26 1 0.25000000 0.69630500 0.97080600 1.0 C C27 1 0.75000000 0.80369500 0.47080600 1.0 N N28 1 0.75000000 0.21351900 0.28503600 1.0 N N29 1 0.50051300 0.06291300 0.76989500 1.0 N N30 1 0.99948700 0.56291300 0.73010500 1.0 N N31 1 0.49948700 0.43708700 0.26989500 1.0 N N32 1 0.75000000 0.71351900 0.21496400 1.0 N N33 1 0.98129200 0.24412100 0.04139600 1.0 N N34 1 0.49948700 0.93708700 0.23010500 1.0 N N35 1 0.99948700 0.06291300 0.76989500 1.0 N N36 1 0.00051300 0.43708700 0.26989500 1.0 N N37 1 0.51870800 0.74412100 0.45860400 1.0 N N38 1 0.01870800 0.25587900 0.54139600 1.0 N N39 1 0.51870800 0.24412100 0.04139600 1.0 N N40 1 0.25000000 0.78648100 0.71496400 1.0 N N41 1 0.25000000 0.28648100 0.78503600 1.0 N N42 1 0.25000000 0.08304400 0.51944800 1.0 N N43 1 0.01870800 0.75587900 0.95860400 1.0 N N44 1 0.98129200 0.74412100 0.45860400 1.0 N N45 1 0.75000000 0.91695600 0.48055200 1.0 N N46 1 0.50051300 0.56291300 0.73010500 1.0 N N47 1 0.48129200 0.25587900 0.54139600 1.0 N N48 1 0.48129200 0.75587900 0.95860400 1.0 N N49 1 0.25000000 0.58304400 0.98055200 1.0 N N50 1 0.75000000 0.41695600 0.01944800 1.0 N N51 1 0.00051300 0.93708700 0.23010500 1.0