# generated using pymatgen data_Cs5CeCu2(NO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.28883200 _cell_length_b 11.28883200 _cell_length_c 11.28883200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs5CeCu2(NO2)12 _chemical_formula_sum 'Cs10 Ce2 Cu4 N24 O48' _cell_volume 1438.62310100 _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 Cs Cs0 1 0.50000000 0.50000000 0.00000000 1.0 Cs Cs1 1 0.50000000 0.00000000 0.50000000 1.0 Cs Cs2 1 0.25000000 0.75000000 0.75000000 1.0 Cs Cs3 1 0.75000000 0.25000000 0.25000000 1.0 Cs Cs4 1 0.75000000 0.25000000 0.75000000 1.0 Cs Cs5 1 0.00000000 0.00000000 0.00000000 1.0 Cs Cs6 1 0.75000000 0.75000000 0.25000000 1.0 Cs Cs7 1 0.25000000 0.75000000 0.25000000 1.0 Cs Cs8 1 0.00000000 0.50000000 0.50000000 1.0 Cs Cs9 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 0.51042000 0.50893500 0.68953700 1.0 N N17 1 0.81046300 0.98958000 0.50893500 1.0 N N18 1 0.68953700 0.98958000 0.99106500 1.0 N N19 1 0.50893500 0.81046300 0.98958000 1.0 N N20 1 0.98958000 0.99106500 0.68953700 1.0 N N21 1 0.00893500 0.31046300 0.01042000 1.0 N N22 1 0.31046300 0.01042000 0.00893500 1.0 N N23 1 0.81046300 0.51042000 0.99106500 1.0 N N24 1 0.50893500 0.68953700 0.51042000 1.0 N N25 1 0.01042000 0.49106500 0.18953700 1.0 N N26 1 0.99106500 0.81046300 0.51042000 1.0 N N27 1 0.48958000 0.49106500 0.31046300 1.0 N N28 1 0.51042000 0.99106500 0.81046300 1.0 N N29 1 0.00893500 0.18953700 0.48958000 1.0 N N30 1 0.68953700 0.51042000 0.50893500 1.0 N N31 1 0.49106500 0.18953700 0.01042000 1.0 N N32 1 0.49106500 0.31046300 0.48958000 1.0 N N33 1 0.18953700 0.01042000 0.49106500 1.0 N N34 1 0.99106500 0.68953700 0.98958000 1.0 N N35 1 0.98958000 0.50893500 0.81046300 1.0 N N36 1 0.48958000 0.00893500 0.18953700 1.0 N N37 1 0.01042000 0.00893500 0.31046300 1.0 N N38 1 0.18953700 0.48958000 0.00893500 1.0 N N39 1 0.31046300 0.48958000 0.49106500 1.0 O O40 1 0.50041700 0.24315000 0.91348700 1.0 O O41 1 0.00041700 0.74315000 0.08651300 1.0 O O42 1 0.41348700 0.00041700 0.75685000 1.0 O O43 1 0.25685000 0.58651300 0.50041700 1.0 O O44 1 0.91348700 0.50041700 0.24315000 1.0 O O45 1 0.24712100 0.09949900 0.45326900 1.0 O O46 1 0.40050100 0.45326900 0.25287900 1.0 O O47 1 0.95326900 0.75287900 0.59949900 1.0 O O48 1 0.58651300 0.99958300 0.24315000 1.0 O O49 1 0.04673100 0.24712100 0.40050100 1.0 O O50 1 0.08651300 0.00041700 0.74315000 1.0 O O51 1 0.40050100 0.04673100 0.24712100 1.0 O O52 1 0.75685000 0.41348700 0.00041700 1.0 O O53 1 0.90050100 0.95326900 0.74712100 1.0 O O54 1 0.04673100 0.25287900 0.09949900 1.0 O O55 1 0.91348700 0.99958300 0.25685000 1.0 O O56 1 0.90050100 0.54673100 0.75287900 1.0 O O57 1 0.24315000 0.91348700 0.50041700 1.0 O O58 1 0.08651300 0.49958300 0.75685000 1.0 O O59 1 0.09949900 0.04673100 0.25287900 1.0 O O60 1 0.54673100 0.75287900 0.90050100 1.0 O O61 1 0.24315000 0.58651300 0.99958300 1.0 O O62 1 0.24712100 0.40050100 0.04673100 1.0 O O63 1 0.75685000 0.08651300 0.49958300 1.0 O O64 1 0.00041700 0.75685000 0.41348700 1.0 O O65 1 0.25287900 0.40050100 0.45326900 1.0 O O66 1 0.41348700 0.49958300 0.74315000 1.0 O O67 1 0.99958300 0.24315000 0.58651300 1.0 O O68 1 0.58651300 0.50041700 0.25685000 1.0 O O69 1 0.54673100 0.74712100 0.59949900 1.0 O O70 1 0.75287900 0.59949900 0.95326900 1.0 O O71 1 0.59949900 0.95326900 0.75287900 1.0 O O72 1 0.25685000 0.91348700 0.99958300 1.0 O O73 1 0.74712100 0.90050100 0.95326900 1.0 O O74 1 0.74315000 0.08651300 0.00041700 1.0 O O75 1 0.50041700 0.25685000 0.58651300 1.0 O O76 1 0.75287900 0.90050100 0.54673100 1.0 O O77 1 0.74315000 0.41348700 0.49958300 1.0 O O78 1 0.99958300 0.25685000 0.91348700 1.0 O O79 1 0.49958300 0.75685000 0.08651300 1.0 O O80 1 0.09949900 0.45326900 0.24712100 1.0 O O81 1 0.25287900 0.09949900 0.04673100 1.0 O O82 1 0.45326900 0.25287900 0.40050100 1.0 O O83 1 0.59949900 0.54673100 0.74712100 1.0 O O84 1 0.49958300 0.74315000 0.41348700 1.0 O O85 1 0.95326900 0.74712100 0.90050100 1.0 O O86 1 0.74712100 0.59949900 0.54673100 1.0 O O87 1 0.45326900 0.24712100 0.09949900 1.0