# generated using pymatgen data_Sr9LaTi10O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66032000 _cell_length_b 11.16485090 _cell_length_c 12.47456093 _cell_angle_alpha 77.03080604 _cell_angle_beta 75.07976010 _cell_angle_gamma 73.35141360 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr9LaTi10O30 _chemical_formula_sum 'Sr18 La2 Ti20 O60' _cell_volume 1228.98991391 _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 Sr Sr0 1 0.54978300 0.45015900 0.65021600 1.0 Sr Sr1 1 0.14943600 0.85040600 0.45011300 1.0 Sr Sr2 1 0.85056400 0.14959400 0.54988700 1.0 Sr Sr3 1 0.75002400 0.25028100 0.25000500 1.0 Sr Sr4 1 0.55027300 0.94973000 0.65008600 1.0 Sr Sr5 1 0.35023000 0.64959400 0.05000200 1.0 Sr Sr6 1 0.45021700 0.54984100 0.34978400 1.0 Sr Sr7 1 0.15031100 0.34962700 0.44983200 1.0 Sr Sr8 1 0.95025500 0.04982400 0.84974200 1.0 Sr Sr9 1 0.04974500 0.95017600 0.15025800 1.0 Sr Sr10 1 0.84968900 0.65037300 0.55016800 1.0 Sr Sr11 1 0.64977000 0.35040600 0.94999800 1.0 Sr Sr12 1 0.34979000 0.15027200 0.05031400 1.0 Sr Sr13 1 0.44972700 0.05027000 0.34991400 1.0 Sr Sr14 1 0.24997600 0.74971900 0.74999500 1.0 Sr Sr15 1 0.05017200 0.44983800 0.15032400 1.0 Sr Sr16 1 0.94982800 0.55016200 0.84967600 1.0 Sr Sr17 1 0.65021000 0.84972800 0.94968600 1.0 La La18 1 0.75001600 0.74997600 0.25002100 1.0 La La19 1 0.24998400 0.25002400 0.74997900 1.0 Ti Ti20 1 0.80084000 0.95054400 0.40079200 1.0 Ti Ti21 1 0.49993500 0.25010900 0.49886500 1.0 Ti Ti22 1 0.19916000 0.04945600 0.59920800 1.0 Ti Ti23 1 0.10155600 0.64943600 0.29973900 1.0 Ti Ti24 1 0.80029000 0.44867100 0.40023000 1.0 Ti Ti25 1 0.69924000 0.05109700 0.09973500 1.0 Ti Ti26 1 0.39886900 0.85089600 0.19992100 1.0 Ti Ti27 1 0.50006500 0.74989100 0.50113500 1.0 Ti Ti28 1 0.19971000 0.55132900 0.59977000 1.0 Ti Ti29 1 0.30095900 0.45078400 0.90040200 1.0 Ti Ti30 1 0.10043700 0.15034100 0.29967100 1.0 Ti Ti31 1 0.99951700 0.24977500 0.00084600 1.0 Ti Ti32 1 0.89956300 0.84965900 0.70032900 1.0 Ti Ti33 1 0.60060800 0.65038600 0.79986100 1.0 Ti Ti34 1 0.69904100 0.54921600 0.09959800 1.0 Ti Ti35 1 0.39939200 0.34961400 0.20013900 1.0 Ti Ti36 1 0.30076000 0.94890300 0.90026500 1.0 Ti Ti37 1 0.00048300 0.75022500 0.99915400 1.0 Ti Ti38 1 0.89844400 0.35056400 0.70026100 1.0 Ti Ti39 1 0.60113100 0.14910400 0.80007900 1.0 O O40 1 0.34819100 0.39735900 0.55349800 1.0 O O41 1 0.94647600 0.79912000 0.34826900 1.0 O O42 1 0.34761400 0.65244000 0.54153600 1.0 O O43 1 0.54201300 0.69456500 0.65237000 1.0 O O44 1 0.85828200 0.90521700 0.54701700 1.0 O O45 1 0.55046900 0.19967900 0.15020200 1.0 O O46 1 0.05300300 0.94749200 0.65827900 1.0 O O47 1 0.94699700 0.05250800 0.34172100 1.0 O O48 1 0.35009400 0.90004800 0.54992400 1.0 O O49 1 0.14171800 0.09478300 0.45298300 1.0 O O50 1 0.45798700 0.30543500 0.34763000 1.0 O O51 1 0.14952400 0.59969700 0.95018000 1.0 O O52 1 0.65238600 0.34756000 0.45846400 1.0 O O53 1 0.54742400 0.45295100 0.14204600 1.0 O O54 1 0.94980100 0.30039400 0.34992800 1.0 O O55 1 0.05352400 0.20088000 0.65173100 1.0 O O56 1 0.34583900 0.15416500 0.54474200 1.0 O O57 1 0.74183200 0.49797600 0.25278000 1.0 O O58 1 0.53556200 0.19554400 0.65484100 1.0 O O59 1 0.05413700 0.70621300 0.14866100 1.0 O O60 1 0.85861700 0.40566900 0.54716800 1.0 O O61 1 0.84817400 0.89741300 0.05349500 1.0 O O62 1 0.74958700 0.00033100 0.74972900 1.0 O O63 1 0.25272300 0.74736300 0.25824400 1.0 O O64 1 0.14706100 0.85305600 0.94194000 1.0 O O65 1 0.65180900 0.60264100 0.44650200 1.0 O O66 1 0.55341700 0.70090200 0.15173600 1.0 O O67 1 0.05701000 0.44298900 0.66034500 1.0 O O68 1 0.94299000 0.55701100 0.33965500 1.0 O O69 1 0.34216100 0.89468800 0.05264500 1.0 O O70 1 0.14138300 0.59433100 0.45283200 1.0 O O71 1 0.65783900 0.10531200 0.94735500 1.0 O O72 1 0.46443800 0.80445600 0.34515900 1.0 O O73 1 0.85293900 0.14694400 0.05806000 1.0 O O74 1 0.74727700 0.25263700 0.74175600 1.0 O O75 1 0.15182600 0.10258700 0.94650500 1.0 O O76 1 0.25041300 0.99966900 0.25027100 1.0 O O77 1 0.65416100 0.84583500 0.45525800 1.0 O O78 1 0.55014600 0.94984200 0.14320300 1.0 O O79 1 0.05019900 0.69960600 0.65007200 1.0 O O80 1 0.94586300 0.29378700 0.85133900 1.0 O O81 1 0.74165000 0.98930700 0.25276100 1.0 O O82 1 0.25816800 0.50202400 0.74722000 1.0 O O83 1 0.05834400 0.20537500 0.14686900 1.0 O O84 1 0.45257600 0.54704900 0.85795400 1.0 O O85 1 0.85047600 0.40030300 0.04982000 1.0 O O86 1 0.75051900 0.49984300 0.74998600 1.0 O O87 1 0.25266200 0.24732600 0.25803900 1.0 O O88 1 0.14939100 0.35058700 0.93747100 1.0 O O89 1 0.64990600 0.09995200 0.45007600 1.0 O O90 1 0.34194900 0.39438900 0.05236500 1.0 O O91 1 0.65805100 0.60561100 0.94763500 1.0 O O92 1 0.44953100 0.80032100 0.84979800 1.0 O O93 1 0.85060900 0.64941300 0.06252900 1.0 O O94 1 0.74733800 0.75267400 0.74196100 1.0 O O95 1 0.24948100 0.50015700 0.25001400 1.0 O O96 1 0.94165600 0.79462500 0.85313100 1.0 O O97 1 0.25835000 0.01069300 0.74723900 1.0 O O98 1 0.44985400 0.05015800 0.85679700 1.0 O O99 1 0.44658300 0.29909800 0.84826400 1.0