# generated using pymatgen data_K5CeFe2(NO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.50445600 _cell_length_b 10.50445600 _cell_length_c 10.50445600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5CeFe2(NO2)12 _chemical_formula_sum 'K10 Ce2 Fe4 N24 O48' _cell_volume 1159.09944755 _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 K K0 1 0.50000000 0.50000000 0.00000000 1.0 K K1 1 0.50000000 0.00000000 0.50000000 1.0 K K2 1 0.25000000 0.75000000 0.75000000 1.0 K K3 1 0.75000000 0.25000000 0.25000000 1.0 K K4 1 0.75000000 0.25000000 0.75000000 1.0 K K5 1 0.00000000 0.00000000 0.00000000 1.0 K K6 1 0.75000000 0.75000000 0.25000000 1.0 K K7 1 0.25000000 0.75000000 0.25000000 1.0 K K8 1 0.00000000 0.50000000 0.50000000 1.0 K K9 1 0.25000000 0.25000000 0.75000000 1.0 Ce Ce10 1 0.25000000 0.25000000 0.25000000 1.0 Ce Ce11 1 0.75000000 0.75000000 0.75000000 1.0 Fe Fe12 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe13 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe14 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe15 1 0.50000000 0.50000000 0.50000000 1.0 N N16 1 0.50264200 0.50527900 0.68790500 1.0 N N17 1 0.81209500 0.99735800 0.50527900 1.0 N N18 1 0.68790500 0.99735800 0.99472100 1.0 N N19 1 0.50527900 0.81209500 0.99735800 1.0 N N20 1 0.99735800 0.99472100 0.68790500 1.0 N N21 1 0.00527900 0.31209500 0.00264200 1.0 N N22 1 0.31209500 0.00264200 0.00527900 1.0 N N23 1 0.81209500 0.50264200 0.99472100 1.0 N N24 1 0.50527900 0.68790500 0.50264200 1.0 N N25 1 0.00264200 0.49472100 0.18790500 1.0 N N26 1 0.99472100 0.81209500 0.50264200 1.0 N N27 1 0.49735800 0.49472100 0.31209500 1.0 N N28 1 0.50264200 0.99472100 0.81209500 1.0 N N29 1 0.00527900 0.18790500 0.49735800 1.0 N N30 1 0.68790500 0.50264200 0.50527900 1.0 N N31 1 0.49472100 0.18790500 0.00264200 1.0 N N32 1 0.49472100 0.31209500 0.49735800 1.0 N N33 1 0.18790500 0.00264200 0.49472100 1.0 N N34 1 0.99472100 0.68790500 0.99735800 1.0 N N35 1 0.99735800 0.50527900 0.81209500 1.0 N N36 1 0.49735800 0.00527900 0.18790500 1.0 N N37 1 0.00264200 0.00527900 0.31209500 1.0 N N38 1 0.18790500 0.49735800 0.00527900 1.0 N N39 1 0.31209500 0.49735800 0.49472100 1.0 O O40 1 0.50576600 0.25073100 0.90233700 1.0 O O41 1 0.00576600 0.75073100 0.09766300 1.0 O O42 1 0.40233700 0.00576600 0.74926900 1.0 O O43 1 0.24926900 0.59766300 0.50576600 1.0 O O44 1 0.90233700 0.50576600 0.25073100 1.0 O O45 1 0.24980500 0.10591700 0.47714900 1.0 O O46 1 0.39408300 0.47714900 0.25019500 1.0 O O47 1 0.97714900 0.75019500 0.60591700 1.0 O O48 1 0.59766300 0.99423400 0.25073100 1.0 O O49 1 0.02285100 0.24980500 0.39408300 1.0 O O50 1 0.09766300 0.00576600 0.75073100 1.0 O O51 1 0.39408300 0.02285100 0.24980500 1.0 O O52 1 0.74926900 0.40233700 0.00576600 1.0 O O53 1 0.89408300 0.97714900 0.74980500 1.0 O O54 1 0.02285100 0.25019500 0.10591700 1.0 O O55 1 0.90233700 0.99423400 0.24926900 1.0 O O56 1 0.89408300 0.52285100 0.75019500 1.0 O O57 1 0.25073100 0.90233700 0.50576600 1.0 O O58 1 0.09766300 0.49423400 0.74926900 1.0 O O59 1 0.10591700 0.02285100 0.25019500 1.0 O O60 1 0.52285100 0.75019500 0.89408300 1.0 O O61 1 0.25073100 0.59766300 0.99423400 1.0 O O62 1 0.24980500 0.39408300 0.02285100 1.0 O O63 1 0.74926900 0.09766300 0.49423400 1.0 O O64 1 0.00576600 0.74926900 0.40233700 1.0 O O65 1 0.25019500 0.39408300 0.47714900 1.0 O O66 1 0.40233700 0.49423400 0.75073100 1.0 O O67 1 0.99423400 0.25073100 0.59766300 1.0 O O68 1 0.59766300 0.50576600 0.24926900 1.0 O O69 1 0.52285100 0.74980500 0.60591700 1.0 O O70 1 0.75019500 0.60591700 0.97714900 1.0 O O71 1 0.60591700 0.97714900 0.75019500 1.0 O O72 1 0.24926900 0.90233700 0.99423400 1.0 O O73 1 0.74980500 0.89408300 0.97714900 1.0 O O74 1 0.75073100 0.09766300 0.00576600 1.0 O O75 1 0.50576600 0.24926900 0.59766300 1.0 O O76 1 0.75019500 0.89408300 0.52285100 1.0 O O77 1 0.75073100 0.40233700 0.49423400 1.0 O O78 1 0.99423400 0.24926900 0.90233700 1.0 O O79 1 0.49423400 0.74926900 0.09766300 1.0 O O80 1 0.10591700 0.47714900 0.24980500 1.0 O O81 1 0.25019500 0.10591700 0.02285100 1.0 O O82 1 0.47714900 0.25019500 0.39408300 1.0 O O83 1 0.60591700 0.52285100 0.74980500 1.0 O O84 1 0.49423400 0.75073100 0.40233700 1.0 O O85 1 0.97714900 0.74980500 0.89408300 1.0 O O86 1 0.74980500 0.60591700 0.52285100 1.0 O O87 1 0.47714900 0.24980500 0.10591700 1.0