# generated using pymatgen data_Ce10Si10BrN17O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63975678 _cell_length_b 11.29615659 _cell_length_c 11.62768170 _cell_angle_alpha 90.01795123 _cell_angle_beta 90.03245740 _cell_angle_gamma 90.08379010 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce10Si10BrN17O9 _chemical_formula_sum 'Ce20 Si20 Br2 N34 O18' _cell_volume 1397.51019073 _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 Ce Ce0 1 0.99210626 -0.00024299 0.83283790 1.0 Ce Ce1 1 0.10977982 0.62844437 -0.00013527 1.0 Ce Ce2 1 0.12724029 0.88048066 0.50000099 1.0 Ce Ce3 1 0.13743467 0.39826221 0.75684400 1.0 Ce Ce4 1 0.13920905 0.39784332 0.24260375 1.0 Ce Ce5 1 0.35840986 0.90408044 0.24203701 1.0 Ce Ce6 1 0.36166243 0.89944226 0.75896042 1.0 Ce Ce7 1 0.37311236 0.37860601 0.49833885 1.0 Ce Ce8 1 0.38214256 0.12784224 0.00365252 1.0 Ce Ce9 1 0.50051332 0.50015829 0.17152568 1.0 Ce Ce10 1 0.50124999 0.50178348 0.82867299 1.0 Ce Ce11 1 0.63485744 0.87267663 0.99521908 1.0 Ce Ce12 1 0.62291820 0.62371983 0.50104015 1.0 Ce Ce13 1 0.64236230 0.10211581 0.23747208 1.0 Ce Ce14 1 0.64465804 0.09801098 0.76267333 1.0 Ce Ce15 1 0.85774423 0.59757702 0.23247948 1.0 Ce Ce16 1 0.85707648 0.59852924 0.76787498 1.0 Ce Ce17 1 0.87809534 0.12458963 0.50003702 1.0 Ce Ce18 1 0.88031076 0.37389560 0.00014910 1.0 Ce Ce19 1 0.99166730 -0.00083964 0.16685518 1.0 Si Si20 1 0.11646714 0.74481909 0.24720794 1.0 Si Si21 1 0.11679576 0.74455383 0.75291437 1.0 Si Si22 1 0.14977887 0.14260958 0.63719167 1.0 Si Si23 1 0.14981700 0.14314736 0.36388990 1.0 Si Si24 1 0.21259313 0.88741839 -0.00005489 1.0 Si Si25 1 0.28670205 0.38838325 -0.00052668 1.0 Si Si26 1 0.34920686 0.64374025 0.63578578 1.0 Si Si27 1 0.34930344 0.64468702 0.36440283 1.0 Si Si28 1 0.38478843 0.23864791 0.24514133 1.0 Si Si29 1 0.38322830 0.24414730 0.75349761 1.0 Si Si30 1 0.61632728 0.75620507 0.24635154 1.0 Si Si31 1 0.61497851 0.76128872 0.75438481 1.0 Si Si32 1 0.65084397 0.35510550 0.63551345 1.0 Si Si33 1 0.65057007 0.35592313 0.36480965 1.0 Si Si34 1 0.71837988 0.61129026 0.00019741 1.0 Si Si35 1 0.78807619 0.10833130 -0.00024074 1.0 Si Si36 1 0.84958041 0.85497381 0.36501444 1.0 Si Si37 1 0.84967005 0.85487463 0.63532723 1.0 Si Si38 1 0.88456288 0.26148144 0.24522982 1.0 Si Si39 1 0.88490568 0.26140581 0.75465319 1.0 Br Br40 1 0.04029698 0.47232910 0.50045474 1.0 Br Br41 1 0.46109454 0.97205426 0.50006970 1.0 N N42 1 0.01990824 0.19126076 0.28867087 1.0 N N43 1 0.02039087 0.19132760 0.71206891 1.0 N N44 1 0.10378736 0.10767662 0.50029072 1.0 N N45 1 0.16753092 0.81489722 0.12187786 1.0 N N46 1 0.16835509 0.81340477 0.87867270 1.0 N N47 1 0.23155824 0.74765949 0.64923795 1.0 N N48 1 0.23078782 0.74762993 0.35128499 1.0 N N49 1 0.26807785 0.24727545 0.65015565 1.0 N N50 1 0.26860736 0.24733239 0.34974090 1.0 N N51 1 0.33143976 0.31563979 0.87772699 1.0 N N52 1 0.33105755 0.31720990 0.12230774 1.0 N N53 1 0.39619712 0.60791072 0.49988916 1.0 N N54 1 0.42213568 0.09935433 0.19781535 1.0 N N55 1 0.47884650 0.69290563 0.28863050 1.0 N N56 1 0.47949414 0.69086121 0.71100021 1.0 N N57 1 0.52030739 0.30827906 0.28924517 1.0 N N58 1 0.52134680 0.30653899 0.71146394 1.0 N N59 1 0.57924741 0.90091766 0.80123036 1.0 N N60 1 0.60331948 0.39279706 0.50020241 1.0 N N61 1 0.66603904 0.68097607 0.87703629 1.0 N N62 1 0.66535963 0.68292056 0.12235605 1.0 N N63 1 0.73081682 0.75137528 0.64894972 1.0 N N64 1 0.73046972 0.75182282 0.35122352 1.0 N N65 1 0.76904207 0.25128966 0.64847116 1.0 N N66 1 0.76823560 0.25164174 0.35092381 1.0 N N67 1 0.82880924 0.18304311 0.12366509 1.0 N N68 1 0.82930227 0.18283235 0.87608883 1.0 N N69 1 0.84729163 0.96677865 0.99952071 1.0 N N70 1 0.87946012 0.59110017 0.00085592 1.0 N N71 1 0.89749853 0.89175248 0.50015964 1.0 N N72 1 0.92218757 0.40125483 0.19984524 1.0 N N73 1 0.92351127 0.40103835 0.79972838 1.0 N N74 1 0.97845066 0.80615127 0.28860727 1.0 N N75 1 0.97854223 0.80638829 0.71232882 1.0 O O76 1 0.08412909 0.60649136 0.20454115 1.0 O O77 1 0.08428232 0.60623844 0.79492377 1.0 O O78 1 0.13032943 0.40953423 0.99848902 1.0 O O79 1 0.15349001 0.02468804 0.99939447 1.0 O O80 1 0.18179308 0.00969469 0.69364857 1.0 O O81 1 0.18033360 0.00912925 0.30842403 1.0 O O82 1 0.31885511 0.51159133 0.30633876 1.0 O O83 1 0.31789647 0.51097203 0.69341575 1.0 O O84 1 0.34678102 0.52554214 0.99915362 1.0 O O85 1 0.36876298 0.90921529 0.00036269 1.0 O O86 1 0.41775391 0.10636261 0.79558691 1.0 O O87 1 0.58285130 0.89401264 0.20407675 1.0 O O88 1 0.62685465 0.09549072 0.99950990 1.0 O O89 1 0.64997098 0.47530875 0.00034746 1.0 O O90 1 0.68135548 0.49000365 0.30844371 1.0 O O91 1 0.68097851 0.48900269 0.69247159 1.0 O O92 1 0.81678765 0.98806037 0.30837536 1.0 O O93 1 0.81886430 0.98902517 0.69086931 1.0