# generated using pymatgen data_CeS4(N2O9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.52144800 _cell_length_b 12.77784300 _cell_length_c 13.93786187 _cell_angle_alpha 68.07584802 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeS4(N2O9)2 _chemical_formula_sum 'Ce4 S16 N16 O72' _cell_volume 1903.52448656 _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 Ce Ce0 1 0.55057000 0.71236500 0.38023000 1.0 Ce Ce1 1 0.05057000 0.28763500 0.11977000 1.0 Ce Ce2 1 0.44943000 0.28763500 0.61977000 1.0 Ce Ce3 1 0.94943000 0.71236500 0.88023000 1.0 S S4 1 0.78612000 0.81695800 0.40134400 1.0 S S5 1 0.28612000 0.18304200 0.09865600 1.0 S S6 1 0.21388000 0.18304200 0.59865600 1.0 S S7 1 0.71388000 0.81695800 0.90134400 1.0 S S8 1 0.49278500 0.71157900 0.16350600 1.0 S S9 1 0.99278500 0.28842100 0.33649400 1.0 S S10 1 0.50721500 0.28842100 0.83649400 1.0 S S11 1 0.00721500 0.71157900 0.66350600 1.0 S S12 1 0.40382300 0.58542400 0.57355100 1.0 S S13 1 0.90382300 0.41457600 0.92644900 1.0 S S14 1 0.59617700 0.41457600 0.42644900 1.0 S S15 1 0.09617700 0.58542400 0.07355100 1.0 S S16 1 0.43458200 0.92705900 0.38190600 1.0 S S17 1 0.93458200 0.07294100 0.11809400 1.0 S S18 1 0.56541800 0.07294100 0.61809400 1.0 S S19 1 0.06541800 0.92705900 0.88190600 1.0 N N20 1 0.13707300 0.72597900 0.37572400 1.0 N N21 1 0.63707300 0.27402100 0.12427600 1.0 N N22 1 0.86292700 0.27402100 0.62427600 1.0 N N23 1 0.36292700 0.72597900 0.87572400 1.0 N N24 1 0.72252700 0.49843000 0.15396000 1.0 N N25 1 0.22252700 0.50157000 0.34604000 1.0 N N26 1 0.27747300 0.50157000 0.84604000 1.0 N N27 1 0.77747300 0.49843000 0.65396000 1.0 N N28 1 0.06987700 0.98104600 0.38329100 1.0 N N29 1 0.56987700 0.01895400 0.11670900 1.0 N N30 1 0.93012300 0.01895400 0.61670900 1.0 N N31 1 0.43012300 0.98104600 0.88329100 1.0 N N32 1 0.72612600 0.13851600 0.35322500 1.0 N N33 1 0.22612600 0.86148400 0.14677500 1.0 N N34 1 0.27387400 0.86148400 0.64677500 1.0 N N35 1 0.77387400 0.13851600 0.85322500 1.0 O O36 1 0.80781700 0.89673500 0.45262800 1.0 O O37 1 0.30781700 0.10326500 0.04737200 1.0 O O38 1 0.19218300 0.10326500 0.54737200 1.0 O O39 1 0.69218300 0.89673500 0.95262800 1.0 O O40 1 0.89828100 0.79604100 0.36206800 1.0 O O41 1 0.39828100 0.20395900 0.13793200 1.0 O O42 1 0.10171900 0.20395900 0.63793200 1.0 O O43 1 0.60171900 0.79604100 0.86206800 1.0 O O44 1 0.69837300 0.86138300 0.31519200 1.0 O O45 1 0.19837300 0.13861700 0.18480800 1.0 O O46 1 0.30162700 0.13861700 0.68480800 1.0 O O47 1 0.80162700 0.86138300 0.81519200 1.0 O O48 1 0.73210600 0.70883700 0.47347600 1.0 O O49 1 0.23210600 0.29116300 0.02652400 1.0 O O50 1 0.26789400 0.29116300 0.52652400 1.0 O O51 1 0.76789400 0.70883700 0.97347600 1.0 O O52 1 0.60196900 0.75061500 0.19868100 1.0 O O53 1 0.10196900 0.24938500 0.30131900 1.0 O O54 1 0.39803100 0.24938500 0.80131900 1.0 O O55 1 0.89803100 0.75061500 0.69868100 1.0 O O56 1 0.51666200 0.63087600 0.11316300 1.0 O O57 1 0.01666200 0.36912400 0.38683700 1.0 O O58 1 0.48333800 0.36912400 0.88683700 1.0 O O59 1 0.98333800 0.63087600 0.61316300 1.0 O O60 1 0.43004800 0.80557100 0.08234100 1.0 O O61 1 0.93004800 0.19442900 0.41765900 1.0 O O62 1 0.56995200 0.19442900 0.91765900 1.0 O O63 1 0.06995200 0.80557100 0.58234100 1.0 O O64 1 0.42022300 0.66415600 0.25913400 1.0 O O65 1 0.92022300 0.33584400 0.24086600 1.0 O O66 1 0.57977700 0.33584400 0.74086600 1.0 O O67 1 0.07977700 0.66415600 0.75913400 1.0 O O68 1 0.37785400 0.46096700 0.60968200 1.0 O O69 1 0.87785400 0.53903300 0.89031800 1.0 O O70 1 0.62214600 0.53903300 0.39031800 1.0 O O71 1 0.12214600 0.46096700 0.10968200 1.0 O O72 1 0.36579900 0.64040100 0.46217500 1.0 O O73 1 0.86579900 0.35959900 0.03782500 1.0 O O74 1 0.63420100 0.35959900 0.53782500 1.0 O O75 1 0.13420100 0.64040100 0.96217500 1.0 O O76 1 0.53336800 0.60067600 0.56782400 1.0 O O77 1 0.03336800 0.39932400 0.93217600 1.0 O O78 1 0.46663200 0.39932400 0.43217600 1.0 O O79 1 0.96663200 0.60067600 0.06782400 1.0 O O80 1 0.34678100 0.63230200 0.64147800 1.0 O O81 1 0.84678100 0.36769800 0.85852200 1.0 O O82 1 0.65321900 0.36769800 0.35852200 1.0 O O83 1 0.15321900 0.63230200 0.14147800 1.0 O O84 1 0.43039300 0.87840600 0.29905200 1.0 O O85 1 0.93039300 0.12159400 0.20094800 1.0 O O86 1 0.56960700 0.12159400 0.70094800 1.0 O O87 1 0.06960700 0.87840600 0.79905200 1.0 O O88 1 0.31834500 0.94417400 0.41705900 1.0 O O89 1 0.81834500 0.05582600 0.08294100 1.0 O O90 1 0.68165500 0.05582600 0.58294100 1.0 O O91 1 0.18165500 0.94417400 0.91705900 1.0 O O92 1 0.50538800 0.84299900 0.46673600 1.0 O O93 1 0.00538800 0.15700100 0.03326400 1.0 O O94 1 0.49461200 0.15700100 0.53326400 1.0 O O95 1 0.99461200 0.84299900 0.96673600 1.0 O O96 1 0.48876600 0.04012700 0.34421200 1.0 O O97 1 0.98876600 0.95987300 0.15578800 1.0 O O98 1 0.51123400 0.95987300 0.65578800 1.0 O O99 1 0.01123400 0.04012700 0.84421200 1.0 O O100 1 0.38778200 0.29486400 0.29278000 1.0 O O101 1 0.88778200 0.70513600 0.20722000 1.0 O O102 1 0.61221800 0.70513600 0.70722000 1.0 O O103 1 0.11221800 0.29486400 0.79278000 1.0 O O104 1 0.37801500 0.38573800 0.22237200 1.0 O O105 1 0.87801500 0.61426200 0.27762800 1.0 O O106 1 0.62198500 0.61426200 0.77762800 1.0 O O107 1 0.12198500 0.38573800 0.72237200 1.0