# generated using pymatgen data_K5CeCu2(NO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.67200900 _cell_length_b 10.67200900 _cell_length_c 10.67200900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5CeCu2(NO2)12 _chemical_formula_sum 'K10 Ce2 Cu4 N24 O48' _cell_volume 1215.45405952 _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 Cu Cu12 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu13 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu14 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu15 1 0.50000000 0.50000000 0.50000000 1.0 N N16 1 0.50414600 0.50323400 0.69689100 1.0 N N17 1 0.80310900 0.99585400 0.50323400 1.0 N N18 1 0.69689100 0.99585400 0.99676600 1.0 N N19 1 0.50323400 0.80310900 0.99585400 1.0 N N20 1 0.99585400 0.99676600 0.69689100 1.0 N N21 1 0.00323400 0.30310900 0.00414600 1.0 N N22 1 0.30310900 0.00414600 0.00323400 1.0 N N23 1 0.80310900 0.50414600 0.99676600 1.0 N N24 1 0.50323400 0.69689100 0.50414600 1.0 N N25 1 0.00414600 0.49676600 0.19689100 1.0 N N26 1 0.99676600 0.80310900 0.50414600 1.0 N N27 1 0.49585400 0.49676600 0.30310900 1.0 N N28 1 0.50414600 0.99676600 0.80310900 1.0 N N29 1 0.00323400 0.19689100 0.49585400 1.0 N N30 1 0.69689100 0.50414600 0.50323400 1.0 N N31 1 0.49676600 0.19689100 0.00414600 1.0 N N32 1 0.49676600 0.30310900 0.49585400 1.0 N N33 1 0.19689100 0.00414600 0.49676600 1.0 N N34 1 0.99676600 0.69689100 0.99585400 1.0 N N35 1 0.99585400 0.50323400 0.80310900 1.0 N N36 1 0.49585400 0.00323400 0.19689100 1.0 N N37 1 0.00414600 0.00323400 0.30310900 1.0 N N38 1 0.19689100 0.49585400 0.00323400 1.0 N N39 1 0.30310900 0.49585400 0.49676600 1.0 O O40 1 0.50352300 0.25801600 0.90448000 1.0 O O41 1 0.00352300 0.75801600 0.09552000 1.0 O O42 1 0.40448000 0.00352300 0.74198400 1.0 O O43 1 0.24198400 0.59552000 0.50352300 1.0 O O44 1 0.90448000 0.50352300 0.25801600 1.0 O O45 1 0.25591800 0.10557700 0.47604400 1.0 O O46 1 0.39442300 0.47604400 0.24408200 1.0 O O47 1 0.97604400 0.74408200 0.60557700 1.0 O O48 1 0.59552000 0.99647700 0.25801600 1.0 O O49 1 0.02395600 0.25591800 0.39442300 1.0 O O50 1 0.09552000 0.00352300 0.75801600 1.0 O O51 1 0.39442300 0.02395600 0.25591800 1.0 O O52 1 0.74198400 0.40448000 0.00352300 1.0 O O53 1 0.89442300 0.97604400 0.75591800 1.0 O O54 1 0.02395600 0.24408200 0.10557700 1.0 O O55 1 0.90448000 0.99647700 0.24198400 1.0 O O56 1 0.89442300 0.52395600 0.74408200 1.0 O O57 1 0.25801600 0.90448000 0.50352300 1.0 O O58 1 0.09552000 0.49647700 0.74198400 1.0 O O59 1 0.10557700 0.02395600 0.24408200 1.0 O O60 1 0.52395600 0.74408200 0.89442300 1.0 O O61 1 0.25801600 0.59552000 0.99647700 1.0 O O62 1 0.25591800 0.39442300 0.02395600 1.0 O O63 1 0.74198400 0.09552000 0.49647700 1.0 O O64 1 0.00352300 0.74198400 0.40448000 1.0 O O65 1 0.24408200 0.39442300 0.47604400 1.0 O O66 1 0.40448000 0.49647700 0.75801600 1.0 O O67 1 0.99647700 0.25801600 0.59552000 1.0 O O68 1 0.59552000 0.50352300 0.24198400 1.0 O O69 1 0.52395600 0.75591800 0.60557700 1.0 O O70 1 0.74408200 0.60557700 0.97604400 1.0 O O71 1 0.60557700 0.97604400 0.74408200 1.0 O O72 1 0.24198400 0.90448000 0.99647700 1.0 O O73 1 0.75591800 0.89442300 0.97604400 1.0 O O74 1 0.75801600 0.09552000 0.00352300 1.0 O O75 1 0.50352300 0.24198400 0.59552000 1.0 O O76 1 0.74408200 0.89442300 0.52395600 1.0 O O77 1 0.75801600 0.40448000 0.49647700 1.0 O O78 1 0.99647700 0.24198400 0.90448000 1.0 O O79 1 0.49647700 0.74198400 0.09552000 1.0 O O80 1 0.10557700 0.47604400 0.25591800 1.0 O O81 1 0.24408200 0.10557700 0.02395600 1.0 O O82 1 0.47604400 0.24408200 0.39442300 1.0 O O83 1 0.60557700 0.52395600 0.75591800 1.0 O O84 1 0.49647700 0.75801600 0.40448000 1.0 O O85 1 0.97604400 0.75591800 0.89442300 1.0 O O86 1 0.75591800 0.60557700 0.52395600 1.0 O O87 1 0.47604400 0.25591800 0.10557700 1.0