# generated using pymatgen data_Ba25(Bi5O18)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33651571 _cell_length_b 6.33651571 _cell_length_c 51.98508236 _cell_angle_alpha 85.68276019 _cell_angle_beta 85.68276019 _cell_angle_gamma 61.20260678 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba25(Bi5O18)3 _chemical_formula_sum 'Ba25 Bi15 O54' _cell_volume 1822.13011292 _cell_formula_units_Z 1 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 0.07676300 0.07676300 0.92346900 1.0 Ba Ba1 1 0.38544100 0.38544100 0.97086200 1.0 Ba Ba2 1 0.75915900 0.75915900 0.87397100 1.0 Ba Ba3 1 0.44938300 0.44938300 0.82590700 1.0 Ba Ba4 1 0.13708200 0.13708200 0.77708200 1.0 Ba Ba5 1 0.82429100 0.82429100 0.72761900 1.0 Ba Ba6 1 0.22053300 0.22053300 0.63438600 1.0 Ba Ba7 1 0.51654600 0.51654600 0.68147700 1.0 Ba Ba8 1 0.65384000 0.65384000 0.53052300 1.0 Ba Ba9 1 0.95541300 0.95541300 0.57426800 1.0 Ba Ba10 1 0.12540400 0.12540400 0.35360000 1.0 Ba Ba11 1 0.33376800 0.33376800 0.48777900 1.0 Ba Ba12 1 0.08793200 0.08793200 0.43463200 1.0 Ba Ba13 1 0.29483100 0.29483100 0.55975900 1.0 Ba Ba14 1 0.78934000 0.78934000 0.38520400 1.0 Ba Ba15 1 0.48040100 0.48040100 0.33168000 1.0 Ba Ba16 1 0.88784700 0.88784700 0.22660700 1.0 Ba Ba17 1 0.18863800 0.18863800 0.27613200 1.0 Ba Ba18 1 0.34018600 0.34018600 0.04909100 1.0 Ba Ba19 1 0.28173000 0.28173000 0.12674900 1.0 Ba Ba20 1 0.59291700 0.59291700 0.17829400 1.0 Ba Ba21 1 0.52767600 0.52767600 0.25245600 1.0 Ba Ba22 1 0.99578900 0.99578900 0.06801200 1.0 Ba Ba23 1 0.68147200 0.68147200 0.01836900 1.0 Ba Ba24 1 0.92780800 0.92780800 0.14554600 1.0 Bi Bi25 1 0.79640700 0.79640700 0.80062200 1.0 Bi Bi26 1 0.48407100 0.48407100 0.75167000 1.0 Bi Bi27 1 0.72556300 0.72556300 0.94792100 1.0 Bi Bi28 1 0.86297600 0.86297600 0.65025300 1.0 Bi Bi29 1 0.41693000 0.41693000 0.89892300 1.0 Bi Bi30 1 0.10417300 0.10417300 0.84997600 1.0 Bi Bi31 1 0.17634100 0.17634100 0.70198400 1.0 Bi Bi32 1 0.42216100 0.42216100 0.40528000 1.0 Bi Bi33 1 0.55788700 0.55788700 0.60456400 1.0 Bi Bi34 1 0.98768000 0.98768000 0.50244100 1.0 Bi Bi35 1 0.71142200 0.71142200 0.45471600 1.0 Bi Bi36 1 0.21917900 0.21917900 0.19999900 1.0 Bi Bi37 1 0.61228700 0.61228700 0.09698600 1.0 Bi Bi38 1 0.81549300 0.81549300 0.30221900 1.0 Bi Bi39 1 0.04010800 0.04010800 0.99705800 1.0 O O40 1 0.86582300 0.86582300 0.97959000 1.0 O O41 1 0.85812200 0.35264500 0.97024800 1.0 O O42 1 0.58229800 0.58229800 0.91934200 1.0 O O43 1 0.35264500 0.85812200 0.97024800 1.0 O O44 1 0.25758100 0.74519000 0.87358600 1.0 O O45 1 0.95040700 0.45603800 0.82513000 1.0 O O46 1 0.08926900 0.56763500 0.92478000 1.0 O O47 1 0.74519000 0.25758100 0.87358600 1.0 O O48 1 0.56763500 0.08926900 0.92478000 1.0 O O49 1 0.45603800 0.95040700 0.82513000 1.0 O O50 1 0.25629300 0.25629300 0.87668900 1.0 O O51 1 0.13844700 0.65007900 0.77616400 1.0 O O52 1 0.82182800 0.33824500 0.72494200 1.0 O O53 1 0.64580100 0.64580100 0.77532800 1.0 O O54 1 0.66867300 0.66867300 0.63624200 1.0 O O55 1 0.53791700 0.04717000 0.67674900 1.0 O O56 1 0.95172500 0.95172500 0.82429600 1.0 O O57 1 0.65007900 0.13844700 0.77616400 1.0 O O58 1 0.33824500 0.82182800 0.72494200 1.0 O O59 1 0.15931300 0.67432200 0.61969400 1.0 O O60 1 0.03375000 0.03375000 0.67066600 1.0 O O61 1 0.86372000 0.40440800 0.57581200 1.0 O O62 1 0.32539000 0.32539000 0.72809700 1.0 O O63 1 0.85006000 0.35579300 0.47555300 1.0 O O64 1 0.67432200 0.15931300 0.61969400 1.0 O O65 1 0.04717000 0.53791700 0.67674900 1.0 O O66 1 0.64475800 0.11875000 0.52620200 1.0 O O67 1 0.35579300 0.85006000 0.47555300 1.0 O O68 1 0.24312100 0.71357700 0.37415700 1.0 O O69 1 0.11875000 0.64475800 0.52620200 1.0 O O70 1 0.40440800 0.86372000 0.57581200 1.0 O O71 1 0.05046400 0.53755500 0.42559900 1.0 O O72 1 0.93368700 0.93368700 0.32991300 1.0 O O73 1 0.71357700 0.24312100 0.37415700 1.0 O O74 1 0.13472200 0.13472200 0.52559300 1.0 O O75 1 0.65630700 0.10280400 0.27444000 1.0 O O76 1 0.53755500 0.05046400 0.42559900 1.0 O O77 1 0.45263900 0.90629800 0.31568500 1.0 O O78 1 0.10280400 0.65630700 0.27444000 1.0 O O79 1 0.58690300 0.58690300 0.42440000 1.0 O O80 1 0.06591000 0.54280000 0.17144000 1.0 O O81 1 0.90629800 0.45263900 0.31568500 1.0 O O82 1 0.83741700 0.31886600 0.21690400 1.0 O O83 1 0.54280000 0.06591000 0.17144000 1.0 O O84 1 0.46432300 0.92303700 0.07232000 1.0 O O85 1 0.31886600 0.83741700 0.21690400 1.0 O O86 1 0.24918700 0.69052900 0.10797500 1.0 O O87 1 0.92303700 0.46432300 0.07232000 1.0 O O88 1 0.32494200 0.32494200 0.23183700 1.0 O O89 1 0.69052900 0.24918700 0.10797500 1.0 O O90 1 0.74297800 0.21482700 0.02489500 1.0 O O91 1 0.70766200 0.70766200 0.12898200 1.0 O O92 1 0.21482700 0.74297800 0.02489500 1.0 O O93 1 0.21593100 0.21593100 0.01219400 1.0