# generated using pymatgen data_Ba4Li6Ti19O44 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85820400 _cell_length_b 10.07367303 _cell_length_c 14.17924860 _cell_angle_alpha 90.34963095 _cell_angle_beta 90.04083652 _cell_angle_gamma 90.00433970 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Li6Ti19O44 _chemical_formula_sum 'Ba4 Li6 Ti19 O44' _cell_volume 836.75315926 _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 0.74987600 0.08840100 0.58875200 1.0 Ba Ba1 1 0.75718400 0.40481400 0.09764500 1.0 Ba Ba2 1 0.24561800 0.60633400 0.89895800 1.0 Ba Ba3 1 0.25427200 0.90842900 0.40638300 1.0 Li Li4 1 0.99071900 0.50317100 0.52452800 1.0 Li Li5 1 0.75160400 0.39037800 0.66053300 1.0 Li Li6 1 0.53961500 0.46686400 0.51186700 1.0 Li Li7 1 0.75239700 0.07893700 0.03677300 1.0 Li Li8 1 0.27111800 0.59783900 0.43596600 1.0 Li Li9 1 0.25010400 0.92499200 0.96152500 1.0 Ti Ti10 1 0.00622400 0.83719900 0.16960000 1.0 Ti Ti11 1 0.00043800 0.15351500 0.82625800 1.0 Ti Ti12 1 0.00690400 0.33355300 0.33549700 1.0 Ti Ti13 1 0.74406300 0.88327400 0.82680200 1.0 Ti Ti14 1 0.75359600 0.06628700 0.33239200 1.0 Ti Ti15 1 0.75861000 0.42296800 0.84709600 1.0 Ti Ti16 1 0.75136500 0.73939600 0.00001900 1.0 Ti Ti17 1 0.76215000 0.75841500 0.50799800 1.0 Ti Ti18 1 0.76133100 0.60979800 0.33015300 1.0 Ti Ti19 1 0.50377300 0.33362900 0.33034600 1.0 Ti Ti20 1 0.49453600 0.15211700 0.82235800 1.0 Ti Ti21 1 0.50763500 0.83682500 0.17231700 1.0 Ti Ti22 1 0.51115100 0.65878700 0.67115500 1.0 Ti Ti23 1 0.25988000 0.22972900 0.51262000 1.0 Ti Ti24 1 0.23512100 0.40908000 0.67706000 1.0 Ti Ti25 1 0.25624300 0.57332100 0.16963000 1.0 Ti Ti26 1 0.25156900 0.11133400 0.16530700 1.0 Ti Ti27 1 0.25706900 0.27358200 0.00051800 1.0 Ti Ti28 1 0.22806900 0.90125500 0.66242700 1.0 O O29 1 0.99680600 0.46993900 0.75716700 1.0 O O30 1 0.00271800 0.00328900 0.25076000 1.0 O O31 1 0.98757000 0.32256300 0.91698600 1.0 O O32 1 0.00161300 0.17691900 0.41320700 1.0 O O33 1 0.96696200 0.82197000 0.91629400 1.0 O O34 1 0.98014900 0.67314200 0.42053100 1.0 O O35 1 0.74752800 0.07340500 0.89630800 1.0 O O36 1 0.75504300 0.43164700 0.40117700 1.0 O O37 1 0.74693600 0.24718600 0.76167400 1.0 O O38 1 0.75339100 0.56592700 0.93127400 1.0 O O39 1 0.72925100 0.74306000 0.74895400 1.0 O O40 1 0.74960100 0.93614300 0.42273600 1.0 O O41 1 0.75467600 0.89754300 0.08750800 1.0 O O42 1 0.75657200 0.24966300 0.26355800 1.0 O O43 1 0.73646100 0.59871300 0.57883500 1.0 O O44 1 0.76038900 0.75782400 0.24699900 1.0 O O45 1 0.52905500 0.82182100 0.91920800 1.0 O O46 1 0.54426500 0.68299700 0.41135600 1.0 O O47 1 0.50081700 0.32875800 0.91260100 1.0 O O48 1 0.50615300 0.17624700 0.41236700 1.0 O O49 1 0.50732500 0.00281400 0.25095800 1.0 O O50 1 0.50835200 0.49306600 0.74860000 1.0 O O51 1 0.50016300 0.99692100 0.74881700 1.0 O O52 1 0.50497400 0.50140500 0.25011500 1.0 O O53 1 0.49728500 0.82451800 0.58394400 1.0 O O54 1 0.50265300 0.67436200 0.08986900 1.0 O O55 1 0.47836800 0.31323900 0.58949600 1.0 O O56 1 0.47187800 0.18165900 0.08310100 1.0 O O57 1 0.27969200 0.55430900 0.59428600 1.0 O O58 1 0.25777900 0.06816100 0.56950800 1.0 O O59 1 0.24877200 0.10480300 0.91099800 1.0 O O60 1 0.24683400 0.23660900 0.75458400 1.0 O O61 1 0.25369600 0.25840800 0.25484800 1.0 O O62 1 0.26102900 0.40239900 0.41885100 1.0 O O63 1 0.25240900 0.43583200 0.07006000 1.0 O O64 1 0.26443900 0.75291500 0.73173000 1.0 O O65 1 0.25573100 0.74938000 0.23993400 1.0 O O66 1 0.25734300 0.92972900 0.10280600 1.0 O O67 1 0.02840100 0.32501800 0.58667800 1.0 O O68 1 0.03522100 0.17904400 0.08389300 1.0 O O69 1 0.00901900 0.67594200 0.08777800 1.0 O O70 1 0.99991700 0.84683700 0.57678000 1.0 O O71 1 0.01014600 0.50276900 0.25127400 1.0 O O72 1 0.00032100 0.99437500 0.74896400 1.0