# generated using pymatgen data_K5CeNi2(NO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71452900 _cell_length_b 10.71452900 _cell_length_c 10.71452900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5CeNi2(NO2)12 _chemical_formula_sum 'K10 Ce2 Ni4 N24 O48' _cell_volume 1230.04005475 _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 Ni Ni12 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni13 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni14 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni15 1 0.50000000 0.50000000 0.50000000 1.0 N N16 1 0.50476600 0.50702100 0.69584100 1.0 N N17 1 0.80415900 0.99523400 0.50702100 1.0 N N18 1 0.69584100 0.99523400 0.99297900 1.0 N N19 1 0.50702100 0.80415900 0.99523400 1.0 N N20 1 0.99523400 0.99297900 0.69584100 1.0 N N21 1 0.00702100 0.30415900 0.00476600 1.0 N N22 1 0.30415900 0.00476600 0.00702100 1.0 N N23 1 0.80415900 0.50476600 0.99297900 1.0 N N24 1 0.50702100 0.69584100 0.50476600 1.0 N N25 1 0.00476600 0.49297900 0.19584100 1.0 N N26 1 0.99297900 0.80415900 0.50476600 1.0 N N27 1 0.49523400 0.49297900 0.30415900 1.0 N N28 1 0.50476600 0.99297900 0.80415900 1.0 N N29 1 0.00702100 0.19584100 0.49523400 1.0 N N30 1 0.69584100 0.50476600 0.50702100 1.0 N N31 1 0.49297900 0.19584100 0.00476600 1.0 N N32 1 0.49297900 0.30415900 0.49523400 1.0 N N33 1 0.19584100 0.00476600 0.49297900 1.0 N N34 1 0.99297900 0.69584100 0.99523400 1.0 N N35 1 0.99523400 0.50702100 0.80415900 1.0 N N36 1 0.49523400 0.00702100 0.19584100 1.0 N N37 1 0.00476600 0.00702100 0.30415900 1.0 N N38 1 0.19584100 0.49523400 0.00702100 1.0 N N39 1 0.30415900 0.49523400 0.49297900 1.0 O O40 1 0.50626900 0.25723100 0.90633100 1.0 O O41 1 0.00626900 0.75723100 0.09366900 1.0 O O42 1 0.40633100 0.00626900 0.74276900 1.0 O O43 1 0.24276900 0.59366900 0.50626900 1.0 O O44 1 0.90633100 0.50626900 0.25723100 1.0 O O45 1 0.25595500 0.10509500 0.47300900 1.0 O O46 1 0.39490500 0.47300900 0.24404500 1.0 O O47 1 0.97300900 0.74404500 0.60509500 1.0 O O48 1 0.59366900 0.99373100 0.25723100 1.0 O O49 1 0.02699100 0.25595500 0.39490500 1.0 O O50 1 0.09366900 0.00626900 0.75723100 1.0 O O51 1 0.39490500 0.02699100 0.25595500 1.0 O O52 1 0.74276900 0.40633100 0.00626900 1.0 O O53 1 0.89490500 0.97300900 0.75595500 1.0 O O54 1 0.02699100 0.24404500 0.10509500 1.0 O O55 1 0.90633100 0.99373100 0.24276900 1.0 O O56 1 0.89490500 0.52699100 0.74404500 1.0 O O57 1 0.25723100 0.90633100 0.50626900 1.0 O O58 1 0.09366900 0.49373100 0.74276900 1.0 O O59 1 0.10509500 0.02699100 0.24404500 1.0 O O60 1 0.52699100 0.74404500 0.89490500 1.0 O O61 1 0.25723100 0.59366900 0.99373100 1.0 O O62 1 0.25595500 0.39490500 0.02699100 1.0 O O63 1 0.74276900 0.09366900 0.49373100 1.0 O O64 1 0.00626900 0.74276900 0.40633100 1.0 O O65 1 0.24404500 0.39490500 0.47300900 1.0 O O66 1 0.40633100 0.49373100 0.75723100 1.0 O O67 1 0.99373100 0.25723100 0.59366900 1.0 O O68 1 0.59366900 0.50626900 0.24276900 1.0 O O69 1 0.52699100 0.75595500 0.60509500 1.0 O O70 1 0.74404500 0.60509500 0.97300900 1.0 O O71 1 0.60509500 0.97300900 0.74404500 1.0 O O72 1 0.24276900 0.90633100 0.99373100 1.0 O O73 1 0.75595500 0.89490500 0.97300900 1.0 O O74 1 0.75723100 0.09366900 0.00626900 1.0 O O75 1 0.50626900 0.24276900 0.59366900 1.0 O O76 1 0.74404500 0.89490500 0.52699100 1.0 O O77 1 0.75723100 0.40633100 0.49373100 1.0 O O78 1 0.99373100 0.24276900 0.90633100 1.0 O O79 1 0.49373100 0.74276900 0.09366900 1.0 O O80 1 0.10509500 0.47300900 0.25595500 1.0 O O81 1 0.24404500 0.10509500 0.02699100 1.0 O O82 1 0.47300900 0.24404500 0.39490500 1.0 O O83 1 0.60509500 0.52699100 0.75595500 1.0 O O84 1 0.49373100 0.75723100 0.40633100 1.0 O O85 1 0.97300900 0.75595500 0.89490500 1.0 O O86 1 0.75595500 0.60509500 0.52699100 1.0 O O87 1 0.47300900 0.25595500 0.10509500 1.0