# generated using pymatgen data_Ca9LaTi10O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74827300 _cell_length_b 9.43014634 _cell_length_c 17.31093194 _cell_angle_alpha 89.93098922 _cell_angle_beta 90.80077340 _cell_angle_gamma 113.83626763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9LaTi10O30 _chemical_formula_sum 'Ca18 La2 Ti20 O60' _cell_volume 1156.84947068 _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 Ca Ca0 1 0.68211200 0.39016100 0.86048400 1.0 Ca Ca1 1 0.42923800 0.80582600 0.94327000 1.0 Ca Ca2 1 0.17087500 0.39410500 0.85523200 1.0 Ca Ca3 1 0.28008400 0.58937400 0.66195100 1.0 Ca Ca4 1 0.91913700 0.81028700 0.93931100 1.0 Ca Ca5 1 0.02943500 0.00462900 0.74326000 1.0 Ca Ca6 1 0.77169200 0.59539600 0.65564700 1.0 Ca Ca7 1 0.88037400 0.79041700 0.46018900 1.0 Ca Ca8 1 0.51882900 0.01151800 0.73892200 1.0 Ca Ca9 1 0.62818600 0.20498600 0.54495100 1.0 Ca Ca10 1 0.37111200 0.79481500 0.45547600 1.0 Ca Ca11 1 0.47975000 0.98782500 0.25979100 1.0 Ca Ca12 1 0.23094400 0.40656500 0.34526500 1.0 Ca Ca13 1 0.96856500 0.99420600 0.25535600 1.0 Ca Ca14 1 0.08048400 0.18892000 0.06092500 1.0 Ca Ca15 1 0.72045800 0.41108500 0.33941900 1.0 Ca Ca16 1 0.82997500 0.60581700 0.14524000 1.0 Ca Ca17 1 0.31861800 0.60992900 0.13946300 1.0 La La18 1 0.11503100 0.20687600 0.54288800 1.0 La La19 1 0.57874100 0.19488400 0.05502100 1.0 Ti Ti20 1 0.80164800 0.09792200 0.89927900 1.0 Ti Ti21 1 0.29744400 0.09842000 0.89812900 1.0 Ti Ti22 1 0.40405900 0.30359600 0.70151500 1.0 Ti Ti23 1 0.60074000 0.70136300 0.80031400 1.0 Ti Ti24 1 0.89893100 0.30174000 0.70173200 1.0 Ti Ti25 1 0.09984900 0.69988900 0.80019100 1.0 Ti Ti26 1 0.99774200 0.50158400 0.49882700 1.0 Ti Ti27 1 0.20048900 0.89487100 0.60036800 1.0 Ti Ti28 1 0.69710600 0.89732100 0.60080300 1.0 Ti Ti29 1 0.50320100 0.50286600 0.49927200 1.0 Ti Ti30 1 0.60009800 0.70047700 0.30002400 1.0 Ti Ti31 1 0.79657900 0.09885100 0.39811800 1.0 Ti Ti32 1 0.10067400 0.70122000 0.30010300 1.0 Ti Ti33 1 0.30067700 0.09848700 0.39866200 1.0 Ti Ti34 1 0.19627600 0.89729700 0.10041500 1.0 Ti Ti35 1 0.39820900 0.30188600 0.20153900 1.0 Ti Ti36 1 0.69892500 0.89495800 0.10033500 1.0 Ti Ti37 1 0.90395000 0.30357900 0.20154500 1.0 Ti Ti38 1 0.00315000 0.50226300 0.99936500 1.0 Ti Ti39 1 0.49832000 0.50169600 0.99873000 1.0 O O40 1 0.55986500 0.12106800 0.91978200 1.0 O O41 1 0.37991400 0.32022600 0.93065200 1.0 O O42 1 0.60076300 0.63743900 0.90931600 1.0 O O43 1 0.76462600 0.96617600 0.99152300 1.0 O O44 1 0.27383300 0.55003100 0.99539300 1.0 O O45 1 0.93861600 0.28621600 0.96371200 1.0 O O46 1 0.65592800 0.91283000 0.83695000 1.0 O O47 1 0.32633700 0.65080700 0.80478100 1.0 O O48 1 0.16136100 0.32180400 0.72067900 1.0 O O49 1 0.99978500 0.56429200 0.89083500 1.0 O O50 1 0.83559300 0.23650700 0.80860500 1.0 O O51 1 0.21924000 0.87978100 0.87031300 1.0 O O52 1 0.97853400 0.52017600 0.73015700 1.0 O O53 1 0.36438100 0.16445900 0.79146700 1.0 O O54 1 0.20153000 0.83359500 0.70918400 1.0 O O55 1 0.87382400 0.74888200 0.79557700 1.0 O O56 1 0.03744300 0.07780900 0.87695800 1.0 O O57 1 0.54522100 0.48754600 0.76263900 1.0 O O58 1 0.26021700 0.11074300 0.63909200 1.0 O O59 1 0.92782400 0.85398000 0.60410500 1.0 O O60 1 0.76261600 0.52510600 0.52222200 1.0 O O61 1 0.43208900 0.43369600 0.60842300 1.0 O O62 1 0.59890400 0.76428600 0.69073700 1.0 O O63 1 0.82533800 0.08185500 0.66771500 1.0 O O64 1 0.57884700 0.71975400 0.52963100 1.0 O O65 1 0.79514800 0.03285700 0.50785800 1.0 O O66 1 0.96228600 0.36746600 0.59149200 1.0 O O67 1 0.47404200 0.94801700 0.59579800 1.0 O O68 1 0.63871000 0.27787400 0.67843900 1.0 O O69 1 0.14606100 0.68810600 0.56247000 1.0 O O70 1 0.85668900 0.31229300 0.43837500 1.0 O O71 1 0.52457900 0.05004900 0.40332500 1.0 O O72 1 0.36173500 0.72217700 0.32264600 1.0 O O73 1 0.03461600 0.63709500 0.40875800 1.0 O O74 1 0.19854300 0.96666000 0.49128300 1.0 O O75 1 0.42120600 0.27949100 0.47056900 1.0 O O76 1 0.17916500 0.92082800 0.32916500 1.0 O O77 1 0.40225500 0.23639600 0.30945600 1.0 O O78 1 0.56605800 0.56387200 0.39134500 1.0 O O79 1 0.07332600 0.14898900 0.39607200 1.0 O O80 1 0.23739000 0.47668000 0.47809800 1.0 O O81 1 0.74429900 0.88790200 0.36188000 1.0 O O82 1 0.45490800 0.51191800 0.23777300 1.0 O O83 1 0.12712200 0.25138400 0.20548200 1.0 O O84 1 0.96147300 0.91985000 0.12265900 1.0 O O85 1 0.79766900 0.16480500 0.29098300 1.0 O O86 1 0.63352000 0.83423500 0.20868600 1.0 O O87 1 0.02138700 0.47911400 0.27072600 1.0 O O88 1 0.78258100 0.11799200 0.13177600 1.0 O O89 1 0.99804800 0.43331100 0.10870200 1.0 O O90 1 0.16589500 0.76269100 0.19131000 1.0 O O91 1 0.83863300 0.67751400 0.27793300 1.0 O O92 1 0.67400000 0.34764700 0.19435100 1.0 O O93 1 0.34479300 0.08734400 0.16237600 1.0 O O94 1 0.05575900 0.71226400 0.03774300 1.0 O O95 1 0.72710800 0.45535000 0.00307000 1.0 O O96 1 0.39983500 0.36443100 0.09073000 1.0 O O97 1 0.23575500 0.03639700 0.00873300 1.0 O O98 1 0.62056400 0.67949000 0.07071600 1.0 O O99 1 0.44050600 0.88054000 0.07744800 1.0