# generated using pymatgen data_Ba3Ce2C5O15F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20742233 _cell_length_b 11.16861481 _cell_length_c 14.34470199 _cell_angle_alpha 97.40487094 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.48127055 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Ce2C5O15F2 _chemical_formula_sum 'Ba6 Ce4 C10 O30 F4' _cell_volume 804.13915920 _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 Ba Ba0 1 0.51122441 0.02244883 0.46904989 1.0 Ba Ba1 1 0.69924497 0.39848995 0.08825424 1.0 Ba Ba2 1 0.17739949 0.35479897 0.55460128 1.0 Ba Ba3 1 0.00244131 0.00488262 0.98731179 1.0 Ba Ba4 1 0.30433736 0.60867473 0.89103043 1.0 Ba Ba5 1 0.82732887 0.65465774 0.39072907 1.0 Ce Ce6 1 0.60294952 0.20589905 0.79843473 1.0 Ce Ce7 1 0.11271961 0.22543922 0.25453480 1.0 Ce Ce8 1 0.40553371 0.81106743 0.15705479 1.0 Ce Ce9 1 0.89346712 0.78693424 0.69582818 1.0 C C10 1 0.84562031 0.69124062 0.06992633 1.0 C C11 1 0.54788457 0.09576915 0.16355921 1.0 C C12 1 0.34027681 0.68055361 0.54606774 1.0 C C13 1 0.15681549 0.31363097 0.90531357 1.0 C C14 1 0.95985710 0.91971420 0.29941801 1.0 C C15 1 0.65701690 0.31403380 0.40675371 1.0 C C16 1 0.04703862 0.09407724 0.66658795 1.0 C C17 1 0.25420395 0.50840789 0.25023307 1.0 C C18 1 0.45808914 0.91617828 0.80734693 1.0 C C19 1 0.75856004 0.51712008 0.73656736 1.0 O O20 1 0.30340284 0.03652122 0.14912403 1.0 O O21 1 0.59871635 0.63144549 0.06099788 1.0 O O22 1 0.60648194 0.21296387 0.19541119 1.0 O O23 1 0.70310473 0.97587156 0.82221265 1.0 O O24 1 0.29152935 0.15554429 0.67571742 1.0 O O25 1 0.00909035 0.44564173 0.24629426 1.0 O O26 1 0.98844713 0.97689426 0.64157929 1.0 O O27 1 0.09787709 0.19575417 0.87559961 1.0 O O28 1 0.28896421 0.57792842 0.49054634 1.0 O O29 1 0.71397687 0.85856695 0.28638540 1.0 O O30 1 0.03272914 0.63144549 0.06099788 1.0 O O31 1 0.00298035 0.58006801 0.73489909 1.0 O O32 1 0.96821215 0.37210922 0.91728221 1.0 O O33 1 0.73311838 0.03652122 0.14912403 1.0 O O34 1 0.14459008 0.85856695 0.28638540 1.0 O O35 1 0.40389707 0.37210922 0.91728221 1.0 O O36 1 0.84205028 0.25209885 0.38886710 1.0 O O37 1 0.27276684 0.97587156 0.82221265 1.0 O O38 1 0.71343010 0.42686020 0.44177106 1.0 O O39 1 0.01859668 0.03719336 0.32541530 1.0 O O40 1 0.39979088 0.79958176 0.77401780 1.0 O O41 1 0.31414420 0.62828841 0.26028459 1.0 O O42 1 0.57708766 0.58006801 0.73489909 1.0 O O43 1 0.70008855 0.40017711 0.73979496 1.0 O O44 1 0.15177985 0.73530232 0.57158864 1.0 O O45 1 0.41004856 0.25209885 0.38886710 1.0 O O46 1 0.43655138 0.44564173 0.24629426 1.0 O O47 1 0.86401494 0.15554429 0.67571742 1.0 O O48 1 0.58352247 0.73530232 0.57158864 1.0 O O49 1 0.90526240 0.81052481 0.09102377 1.0 F F50 1 0.62572757 0.25145514 0.55696712 1.0 F F51 1 0.12462051 0.24924101 0.08831968 1.0 F F52 1 0.42457968 0.84915936 0.99158835 1.0 F F53 1 0.94681010 0.89362020 0.46234051 1.0