# generated using pymatgen data_BaTi14O28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48568500 _cell_length_b 10.43621177 _cell_length_c 13.51711835 _cell_angle_alpha 96.19053384 _cell_angle_beta 95.17713863 _cell_angle_gamma 111.25803430 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi14O28 _chemical_formula_sum 'Ba2 Ti28 O56' _cell_volume 1098.23933261 _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 0.21464300 0.28559500 0.21382200 1.0 Ba Ba1 1 0.78535700 0.71440500 0.78617800 1.0 Ti Ti2 1 0.47045900 0.73416800 0.28912000 1.0 Ti Ti3 1 0.61635900 0.59570000 0.43409200 1.0 Ti Ti4 1 0.50934700 0.64903500 0.03201300 1.0 Ti Ti5 1 0.37118700 0.79290600 0.88780900 1.0 Ti Ti6 1 0.05263800 0.78253400 0.53718900 1.0 Ti Ti7 1 0.32796500 0.48976600 0.82326300 1.0 Ti Ti8 1 0.49065300 0.35096500 0.96798700 1.0 Ti Ti9 1 0.19669900 0.63859900 0.68042100 1.0 Ti Ti10 1 0.62881300 0.20709400 0.11219100 1.0 Ti Ti11 1 0.23785700 0.55991800 0.42534300 1.0 Ti Ti12 1 0.38364100 0.40430000 0.56590800 1.0 Ti Ti13 1 0.95320400 0.84038500 0.13473000 1.0 Ti Ti14 1 0.09644000 0.69735900 0.27691200 1.0 Ti Ti15 1 0.52954100 0.26583200 0.71088000 1.0 Ti Ti16 1 0.76214300 0.44008200 0.57465700 1.0 Ti Ti17 1 0.90356000 0.30264100 0.72308800 1.0 Ti Ti18 1 0.04679600 0.15961500 0.86527000 1.0 Ti Ti19 1 0.32594600 0.87897400 0.14668200 1.0 Ti Ti20 1 0.18655200 0.01686100 0.99742500 1.0 Ti Ti21 1 0.67203500 0.51023400 0.17673700 1.0 Ti Ti22 1 0.94736200 0.21746600 0.46281100 1.0 Ti Ti23 1 0.80330100 0.36140100 0.31957900 1.0 Ti Ti24 1 0.08244300 0.07777500 0.60309300 1.0 Ti Ti25 1 0.24138700 0.94124400 0.74213100 1.0 Ti Ti26 1 0.91755700 0.92222500 0.39690700 1.0 Ti Ti27 1 0.75861300 0.05875600 0.25786900 1.0 Ti Ti28 1 0.81344800 0.98313900 0.00257500 1.0 Ti Ti29 1 0.67405400 0.12102600 0.85331800 1.0 O O30 1 0.60069800 0.82092800 0.96322000 1.0 O O31 1 0.61851200 0.56653700 0.57476700 1.0 O O32 1 0.33083000 0.84646000 0.28740500 1.0 O O33 1 0.47338000 0.70522700 0.43021500 1.0 O O34 1 0.44588200 0.74356300 0.14085300 1.0 O O35 1 0.58359100 0.59471400 0.28329500 1.0 O O36 1 0.26319400 0.81687700 0.62793400 1.0 O O37 1 0.41116000 0.67533600 0.77045500 1.0 O O38 1 0.55300300 0.53234500 0.91175000 1.0 O O39 1 0.58884000 0.32466400 0.22954500 1.0 O O40 1 0.15738600 0.75704700 0.79760800 1.0 O O41 1 0.30353800 0.61459300 0.93950600 1.0 O O42 1 0.44699700 0.46765500 0.08825000 1.0 O O43 1 0.97980500 0.83231800 0.28320500 1.0 O O44 1 0.12290800 0.69052700 0.42645000 1.0 O O45 1 0.26591300 0.54824100 0.56938200 1.0 O O46 1 0.38148800 0.43346300 0.42523300 1.0 O O47 1 0.09454900 0.72759100 0.13626800 1.0 O O48 1 0.23649300 0.57793600 0.27849100 1.0 O O49 1 0.52662000 0.29477300 0.56978500 1.0 O O50 1 0.41640900 0.40528600 0.71670500 1.0 O O51 1 0.55411800 0.25643700 0.85914700 1.0 O O52 1 0.96570300 0.61129800 0.60549600 1.0 O O53 1 0.82672500 0.75208600 0.45803900 1.0 O O54 1 0.25624400 0.32297700 0.88908600 1.0 O O55 1 0.53894400 0.03963300 0.17390500 1.0 O O56 1 0.11073500 0.46808800 0.74586100 1.0 O O57 1 0.39930200 0.17907200 0.03678000 1.0 O O58 1 0.03429700 0.38870200 0.39450400 1.0 O O59 1 0.74375600 0.67702300 0.11091400 1.0 O O60 1 0.88926500 0.53191200 0.25413900 1.0 O O61 1 0.17327500 0.24791400 0.54196100 1.0 O O62 1 0.31161700 0.10959900 0.67908400 1.0 O O63 1 0.46105600 0.96036700 0.82609500 1.0 O O64 1 0.73408700 0.45175900 0.43061800 1.0 O O65 1 0.87709200 0.30947300 0.57355000 1.0 O O66 1 0.76350700 0.42206400 0.72150900 1.0 O O67 1 0.04648800 0.13680600 0.00629700 1.0 O O68 1 0.90545100 0.27240900 0.86373200 1.0 O O69 1 0.18707500 0.99657200 0.14573500 1.0 O O70 1 0.30283500 0.88327900 0.99921900 1.0 O O71 1 0.15357200 0.02255000 0.85339100 1.0 O O72 1 0.02019500 0.16768200 0.71679500 1.0 O O73 1 0.84261400 0.24295300 0.20239200 1.0 O O74 1 0.98248300 0.10475800 0.33967500 1.0 O O75 1 0.69646200 0.38540700 0.06049400 1.0 O O76 1 0.11883500 0.95793300 0.48585200 1.0 O O77 1 0.88116500 0.04206700 0.51414800 1.0 O O78 1 0.73680600 0.18312300 0.37206600 1.0 O O79 1 0.01751700 0.89524200 0.66032500 1.0 O O80 1 0.69716500 0.11672100 0.00078100 1.0 O O81 1 0.84642800 0.97745000 0.14660900 1.0 O O82 1 0.95351200 0.86319400 0.99370300 1.0 O O83 1 0.81292500 0.00342800 0.85426500 1.0 O O84 1 0.66917000 0.15354000 0.71259500 1.0 O O85 1 0.68838300 0.89040100 0.32091600 1.0