# generated using pymatgen data_BaTi7O14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38766600 _cell_length_b 7.39038828 _cell_length_c 20.60257564 _cell_angle_alpha 80.32540632 _cell_angle_beta 80.33338938 _cell_angle_gamma 87.69796349 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi7O14 _chemical_formula_sum 'Ba4 Ti28 O56' _cell_volume 1093.02934736 _cell_formula_units_Z 4 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 0.86355600 0.86386400 0.63615200 1.0 Ba Ba1 1 0.59612200 0.59656500 0.90266800 1.0 Ba Ba2 1 0.13644400 0.13613600 0.36384800 1.0 Ba Ba3 1 0.40387800 0.40343500 0.09733200 1.0 Ti Ti4 1 0.01410400 0.70448800 0.97692900 1.0 Ti Ti5 1 0.63497300 0.96354500 0.04896200 1.0 Ti Ti6 1 0.08270100 0.74221700 0.23613500 1.0 Ti Ti7 1 0.93705100 0.61227800 0.37866100 1.0 Ti Ti8 1 0.36502700 0.03645500 0.95103800 1.0 Ti Ti9 1 0.22494600 0.89406500 0.09257400 1.0 Ti Ti10 1 0.69805400 0.00678000 0.30896200 1.0 Ti Ti11 1 0.85849700 0.15150500 0.16758200 1.0 Ti Ti12 1 0.98589600 0.29551200 0.02307100 1.0 Ti Ti13 1 0.71790400 0.41787700 0.26160000 1.0 Ti Ti14 1 0.86392200 0.56663500 0.11926500 1.0 Ti Ti15 1 0.58482300 0.27945200 0.40533300 1.0 Ti Ti16 1 0.48678600 0.82967900 0.19366700 1.0 Ti Ti17 1 0.34859700 0.67239700 0.33533400 1.0 Ti Ti18 1 0.79878600 0.45568200 0.52124200 1.0 Ti Ti19 1 0.65140300 0.32760300 0.66466600 1.0 Ti Ti20 1 0.41517700 0.72054800 0.59466700 1.0 Ti Ti21 1 0.28209600 0.58212300 0.73840000 1.0 Ti Ti22 1 0.57036900 0.86713700 0.45301300 1.0 Ti Ti23 1 0.30194600 0.99322000 0.69103800 1.0 Ti Ti24 1 0.14150300 0.84849500 0.83241800 1.0 Ti Ti25 1 0.42963100 0.13286300 0.54698700 1.0 Ti Ti26 1 0.20121400 0.54431800 0.47875800 1.0 Ti Ti27 1 0.77505400 0.10593500 0.90742600 1.0 Ti Ti28 1 0.06294900 0.38772200 0.62133900 1.0 Ti Ti29 1 0.91729900 0.25778300 0.76386500 1.0 Ti Ti30 1 0.51321400 0.17032100 0.80633300 1.0 Ti Ti31 1 0.13607800 0.43336500 0.88073500 1.0 O O32 1 0.67063900 0.75154700 0.11918600 1.0 O O33 1 0.81748400 0.89346100 0.97541600 1.0 O O34 1 0.06577400 0.72345700 0.06626200 1.0 O O35 1 0.91498800 0.58531100 0.20886000 1.0 O O36 1 0.65667700 0.98730500 0.21862800 1.0 O O37 1 0.79358200 0.13024000 0.07802800 1.0 O O38 1 0.93422600 0.27654300 0.93373800 1.0 O O39 1 0.29037700 0.69097800 0.16459600 1.0 O O40 1 0.43362800 0.82936400 0.02140200 1.0 O O41 1 0.89958000 0.82199600 0.30954800 1.0 O O42 1 0.18251600 0.10653900 0.02458400 1.0 O O43 1 0.03893200 0.95670400 0.16636400 1.0 O O44 1 0.75181300 0.67102200 0.45282200 1.0 O O45 1 0.68443200 0.37435100 0.17090700 1.0 O O46 1 0.82206200 0.51747700 0.02799700 1.0 O O47 1 0.59935600 0.91067400 0.54357800 1.0 O O48 1 0.74784800 0.05452200 0.39901400 1.0 O O49 1 0.17793800 0.48252300 0.97200300 1.0 O O50 1 0.88455100 0.19575800 0.25795300 1.0 O O51 1 0.03168700 0.34124800 0.11362800 1.0 O O52 1 0.53407800 0.61419800 0.26144800 1.0 O O53 1 0.99602600 0.59306600 0.55013700 1.0 O O54 1 0.14002000 0.74111000 0.40569600 1.0 O O55 1 0.56637200 0.17063600 0.97859800 1.0 O O56 1 0.42499600 0.02598000 0.12005800 1.0 O O57 1 0.28162300 0.87779200 0.26450300 1.0 O O58 1 0.62907200 0.29950400 0.49530000 1.0 O O59 1 0.77989100 0.43949900 0.35095500 1.0 O O60 1 0.50501000 0.84534900 0.36391000 1.0 O O61 1 0.37092800 0.70049600 0.50470000 1.0 O O62 1 0.71837700 0.12220800 0.73549700 1.0 O O63 1 0.57500400 0.97402000 0.87994200 1.0 O O64 1 0.14488700 0.54439300 0.30910000 1.0 O O65 1 0.85998000 0.25889000 0.59430400 1.0 O O66 1 0.00397400 0.40693400 0.44986300 1.0 O O67 1 0.61491900 0.53641600 0.59488700 1.0 O O68 1 0.96831300 0.65875200 0.88637200 1.0 O O69 1 0.40064400 0.08932600 0.45642200 1.0 O O70 1 0.11544900 0.80424200 0.74204700 1.0 O O71 1 0.53756700 0.23047500 0.31571600 1.0 O O72 1 0.25215200 0.94547800 0.60098600 1.0 O O73 1 0.31556800 0.62564900 0.82909300 1.0 O O74 1 0.46243300 0.76952500 0.68428400 1.0 O O75 1 0.10042000 0.17800400 0.69045200 1.0 O O76 1 0.24818700 0.32897800 0.54717800 1.0 O O77 1 0.38508100 0.46358400 0.40511300 1.0 O O78 1 0.96106800 0.04329600 0.83363600 1.0 O O79 1 0.70962300 0.30902200 0.83540400 1.0 O O80 1 0.85511300 0.45560700 0.69090000 1.0 O O81 1 0.49499000 0.15465100 0.63609000 1.0 O O82 1 0.34332300 0.01269500 0.78137200 1.0 O O83 1 0.20641800 0.86976000 0.92197200 1.0 O O84 1 0.08501200 0.41468900 0.79114000 1.0 O O85 1 0.22010900 0.56050100 0.64904500 1.0 O O86 1 0.46592200 0.38580200 0.73855200 1.0 O O87 1 0.32936100 0.24845300 0.88081400 1.0