# generated using pymatgen data_Ba8(Bi2O7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88862300 _cell_length_b 10.80962898 _cell_length_c 14.10079286 _cell_angle_alpha 96.97688562 _cell_angle_beta 90.52091843 _cell_angle_gamma 113.46421916 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8(Bi2O7)3 _chemical_formula_sum 'Ba16 Bi12 O42' _cell_volume 1231.14771107 _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 0.17670900 0.85168200 0.78661100 1.0 Ba Ba1 1 0.67417800 0.85827800 0.78843400 1.0 Ba Ba2 1 0.10563000 0.71388800 0.06698500 1.0 Ba Ba3 1 0.03511100 0.56562000 0.35896100 1.0 Ba Ba4 1 0.74525300 0.00120000 0.50185100 1.0 Ba Ba5 1 0.39475400 0.28606200 0.92802400 1.0 Ba Ba6 1 0.53302200 0.57201500 0.35903300 1.0 Ba Ba7 1 0.07018700 0.14219500 0.71182000 1.0 Ba Ba8 1 0.92981300 0.85780500 0.28818000 1.0 Ba Ba9 1 0.46697800 0.42798500 0.64096700 1.0 Ba Ba10 1 0.60524600 0.71393800 0.07197600 1.0 Ba Ba11 1 0.96488900 0.43438000 0.64103900 1.0 Ba Ba12 1 0.25474700 0.99880000 0.49814900 1.0 Ba Ba13 1 0.89437000 0.28611200 0.93301500 1.0 Ba Ba14 1 0.32582200 0.14172200 0.21156600 1.0 Ba Ba15 1 0.82329100 0.14831800 0.21338900 1.0 Bi Bi16 1 0.29108300 0.57678100 0.85814500 1.0 Bi Bi17 1 0.35716900 0.71543500 0.57241700 1.0 Bi Bi18 1 0.42892600 0.85640500 0.28538900 1.0 Bi Bi19 1 0.78471500 0.57096800 0.85735200 1.0 Bi Bi20 1 0.85424500 0.70766100 0.57599200 1.0 Bi Bi21 1 0.14575500 0.29233900 0.42400800 1.0 Bi Bi22 1 0.21528500 0.42903200 0.14264800 1.0 Bi Bi23 1 0.57107400 0.14359500 0.71461100 1.0 Bi Bi24 1 0.64283100 0.28456500 0.42758300 1.0 Bi Bi25 1 0.70891700 0.42321900 0.14185500 1.0 Bi Bi26 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi27 1 0.50000000 0.00000000 0.00000000 1.0 O O28 1 0.10283500 0.71556100 0.60564100 1.0 O O29 1 0.36083700 0.77686200 0.94507100 1.0 O O30 1 0.50766000 0.94194900 0.62808500 1.0 O O31 1 0.03680200 0.56150200 0.83634400 1.0 O O32 1 0.75071100 0.99210700 0.97091300 1.0 O O33 1 0.19420400 0.84026900 0.25043100 1.0 O O34 1 0.21582700 0.48584400 0.99139800 1.0 O O35 1 0.34382200 0.76748200 0.41950100 1.0 O O36 1 0.36129400 0.67720400 0.73042300 1.0 O O37 1 0.51670300 0.95075200 0.15408300 1.0 O O38 1 0.54904900 0.60331200 0.88483900 1.0 O O39 1 0.66238800 0.87332100 0.32172100 1.0 O O40 1 0.21029500 0.49230900 0.50944200 1.0 O O41 1 0.90913700 0.88990200 0.66540800 1.0 O O42 1 0.23631300 0.38894200 0.77735800 1.0 O O43 1 0.93150700 0.79930500 0.90932600 1.0 O O44 1 0.36635700 0.65417600 0.20091700 1.0 O O45 1 0.59690000 0.68152600 0.54933900 1.0 O O46 1 0.77769000 0.59871300 0.70190500 1.0 O O47 1 0.06248500 0.19542900 0.54376000 1.0 O O48 1 0.08308200 0.10202800 0.88323400 1.0 O O49 1 0.91691800 0.89797200 0.11676600 1.0 O O50 1 0.93751500 0.80457100 0.45624000 1.0 O O51 1 0.22231000 0.40128700 0.29809500 1.0 O O52 1 0.40310000 0.31847400 0.45066100 1.0 O O53 1 0.63364300 0.34582400 0.79908300 1.0 O O54 1 0.06849300 0.20069500 0.09067400 1.0 O O55 1 0.76368700 0.61105800 0.22264200 1.0 O O56 1 0.78970500 0.50769100 0.49055800 1.0 O O57 1 0.09086300 0.11009800 0.33459200 1.0 O O58 1 0.33761200 0.12667900 0.67827900 1.0 O O59 1 0.45095100 0.39668800 0.11516100 1.0 O O60 1 0.48329700 0.04924800 0.84591700 1.0 O O61 1 0.63870600 0.32279600 0.26957700 1.0 O O62 1 0.65617800 0.23251800 0.58049900 1.0 O O63 1 0.78417300 0.51415600 0.00860200 1.0 O O64 1 0.80579600 0.15973100 0.74956900 1.0 O O65 1 0.24928900 0.00789300 0.02908700 1.0 O O66 1 0.96319800 0.43849800 0.16365600 1.0 O O67 1 0.49234000 0.05805100 0.37191500 1.0 O O68 1 0.63916300 0.22313800 0.05492900 1.0 O O69 1 0.89716500 0.28443900 0.39435900 1.0