# generated using pymatgen data_Nd19Ti20O60 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.57851500 _cell_length_b 11.14444708 _cell_length_c 12.56776890 _cell_angle_alpha 75.89041323 _cell_angle_beta 75.64731749 _cell_angle_gamma 73.09704047 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd19Ti20O60 _chemical_formula_sum 'Nd19 Ti20 O60' _cell_volume 1222.03174639 _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 Nd Nd0 1 0.55555200 0.69321200 0.12641100 1.0 Nd Nd1 1 0.86450300 0.38364300 0.03092700 1.0 Nd Nd2 1 0.95316100 0.28976500 0.32811600 1.0 Nd Nd3 1 0.53942900 0.21031300 0.17656700 1.0 Nd Nd4 1 0.26282400 0.98575300 0.23199200 1.0 Nd Nd5 1 0.35908000 0.89759400 0.52502000 1.0 Nd Nd6 1 0.84406000 0.90596400 0.07231500 1.0 Nd Nd7 1 0.92632800 0.82355400 0.37146800 1.0 Nd Nd8 1 0.66456600 0.58747600 0.43026300 1.0 Nd Nd9 1 0.75549800 0.49412300 0.72420600 1.0 Nd Nd10 1 0.24699300 0.50227900 0.27660200 1.0 Nd Nd11 1 0.34345100 0.40656200 0.56913200 1.0 Nd Nd12 1 0.06384400 0.18540700 0.62938300 1.0 Nd Nd13 1 0.15780700 0.09376300 0.92490500 1.0 Nd Nd14 1 0.73122800 0.01874800 0.76101200 1.0 Nd Nd15 1 0.46492000 0.78645700 0.82867200 1.0 Nd Nd16 1 0.04448000 0.70620900 0.67301200 1.0 Nd Nd17 1 0.13592000 0.61435900 0.96956800 1.0 Nd Nd18 1 0.44523100 0.30493400 0.87242400 1.0 Ti Ti19 1 0.20005200 0.79873200 0.10066500 1.0 Ti Ti20 1 0.59788100 0.39663600 0.30367200 1.0 Ti Ti21 1 0.90155700 0.59844900 0.20038200 1.0 Ti Ti22 1 0.20098100 0.29970300 0.10005500 1.0 Ti Ti23 1 0.90077900 0.09836700 0.20264400 1.0 Ti Ti24 1 0.30391700 0.20132500 0.40079500 1.0 Ti Ti25 1 0.99384800 0.00388700 0.49890200 1.0 Ti Ti26 1 0.60086900 0.89967000 0.30221200 1.0 Ti Ti27 1 0.29754200 0.70060500 0.40123100 1.0 Ti Ti28 1 0.40040500 0.59913800 0.69892700 1.0 Ti Ti29 1 0.69645500 0.80659200 0.59754800 1.0 Ti Ti30 1 0.69967100 0.29601900 0.59548900 1.0 Ti Ti31 1 0.99964000 0.50133700 0.49973600 1.0 Ti Ti32 1 0.79981400 0.19922500 0.89958100 1.0 Ti Ti33 1 0.10099700 0.39960500 0.79895200 1.0 Ti Ti34 1 0.40512200 0.10025500 0.69351900 1.0 Ti Ti35 1 0.09855500 0.90065900 0.79870400 1.0 Ti Ti36 1 0.50073200 0.99966300 0.99989200 1.0 Ti Ti37 1 0.50022400 0.49917900 0.00006000 1.0 Ti Ti38 1 0.79997000 0.70077000 0.89878700 1.0 O O39 1 0.36708600 0.67719900 0.01423700 1.0 O O40 1 0.85055200 0.69503000 0.04844100 1.0 O O41 1 0.08902500 0.66055800 0.15783500 1.0 O O42 1 0.76428700 0.27692300 0.21466700 1.0 O O43 1 0.01317000 0.44204600 0.13079100 1.0 O O44 1 0.90454200 0.13969000 0.03285500 1.0 O O45 1 0.32173400 0.42819700 0.02424800 1.0 O O46 1 0.07913900 0.17246300 0.17177200 1.0 O O47 1 0.49780200 0.46265400 0.16584100 1.0 O O48 1 0.24481700 0.29380200 0.24992900 1.0 O O49 1 0.38846800 0.15747300 0.06867400 1.0 O O50 1 0.31144200 0.93818100 0.04297700 1.0 O O51 1 0.47062800 0.27946000 0.35480500 1.0 O O52 1 0.41478600 0.04406100 0.33106100 1.0 O O53 1 0.16705200 0.87759200 0.41590300 1.0 O O54 1 0.30301800 0.74006400 0.23332500 1.0 O O55 1 0.55122000 0.90498200 0.15081700 1.0 O O56 1 0.72681000 0.02290500 0.22387100 1.0 O O57 1 0.47495200 0.77252000 0.37307500 1.0 O O58 1 0.64717100 0.88143900 0.44984900 1.0 O O59 1 0.91298900 0.05830600 0.36159000 1.0 O O60 1 0.78718600 0.75616700 0.26710000 1.0 O O61 1 0.03490700 0.92130100 0.18443800 1.0 O O62 1 0.71019800 0.54002300 0.24131800 1.0 O O63 1 0.88599000 0.86393500 0.56098100 1.0 O O64 1 0.56607400 0.47627000 0.61380400 1.0 O O65 1 0.81378900 0.64190800 0.53317200 1.0 O O66 1 0.70455100 0.35385300 0.43183300 1.0 O O67 1 0.95170900 0.50455500 0.35030700 1.0 O O68 1 0.11818300 0.63213000 0.42422400 1.0 O O69 1 0.87817200 0.37286500 0.57599900 1.0 O O70 1 0.04867100 0.49483800 0.64939100 1.0 O O71 1 0.29755600 0.65989500 0.56621400 1.0 O O72 1 0.18393000 0.35952600 0.46939400 1.0 O O73 1 0.43117700 0.52507300 0.38654800 1.0 O O74 1 0.11408500 0.13830200 0.44103300 1.0 O O75 1 0.28681200 0.46316300 0.75696300 1.0 O O76 1 0.21569100 0.24263100 0.73183500 1.0 O O77 1 0.96836800 0.07806000 0.81561800 1.0 O O78 1 0.10533900 0.93843700 0.63220000 1.0 O O79 1 0.33622100 0.10757400 0.55516200 1.0 O O80 1 0.52494600 0.22525600 0.63428300 1.0 O O81 1 0.27800700 0.97109900 0.77672800 1.0 O O82 1 0.69730200 0.26127500 0.76599800 1.0 O O83 1 0.44654900 0.09440400 0.84975800 1.0 O O84 1 0.84786900 0.12639700 0.59001500 1.0 O O85 1 0.57855500 0.94731000 0.67958200 1.0 O O86 1 0.51249400 0.73553200 0.64201800 1.0 O O87 1 0.68797100 0.06176100 0.95470700 1.0 O O88 1 0.61270300 0.84057900 0.93373400 1.0 O O89 1 0.50352700 0.53883700 0.83295200 1.0 O O90 1 0.75208700 0.70337300 0.74996700 1.0 O O91 1 0.91959600 0.83032200 0.82308000 1.0 O O92 1 0.68023000 0.57030200 0.97569900 1.0 O O93 1 0.09633300 0.85849200 0.96661000 1.0 O O94 1 0.98777900 0.55810700 0.86791200 1.0 O O95 1 0.23358100 0.72163900 0.78594000 1.0 O O96 1 0.91183300 0.33892900 0.84201300 1.0 O O97 1 0.15266300 0.30536600 0.94939800 1.0 O O98 1 0.63356900 0.32025600 0.98710300 1.0