# generated using pymatgen data_Th8Ti7Nb5Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03446852 _cell_length_b 7.23012437 _cell_length_c 13.57312918 _cell_angle_alpha 89.95465374 _cell_angle_beta 89.97449545 _cell_angle_gamma 90.01233738 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th8Ti7Nb5Si16 _chemical_formula_sum 'Th8 Ti7 Nb5 Si16' _cell_volume 690.33016628 _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 Th Th0 1 0.50170995 0.66784505 0.59724646 1.0 Th Th1 1 0.00178267 0.83186849 0.90295491 1.0 Th Th2 1 0.49826323 0.33135293 0.09742452 1.0 Th Th3 1 0.99834362 0.16864621 0.40268677 1.0 Th Th4 1 0.49767066 0.33112571 0.40222794 1.0 Th Th5 1 0.99833196 0.16858668 0.09720258 1.0 Th Th6 1 0.50265134 0.66889966 0.90313125 1.0 Th Th7 1 0.00166548 0.83008827 0.59714626 1.0 Ti Ti8 1 0.66050324 0.17578150 0.62632350 1.0 Ti Ti9 1 0.16370274 0.32597797 0.87422659 1.0 Ti Ti10 1 0.33708600 0.82532872 0.12589993 1.0 Ti Ti11 1 0.83752486 0.67497376 0.37367515 1.0 Ti Ti12 1 0.33721643 0.82495344 0.37385754 1.0 Ti Ti13 1 0.83741092 0.67475277 0.12621629 1.0 Ti Ti14 1 0.66205557 0.17493512 0.87367552 1.0 Nb Nb15 1 0.16330966 0.32469563 0.62581534 1.0 Nb Nb16 1 0.83427382 0.49215843 0.74975614 1.0 Nb Nb17 1 0.33464530 0.00805306 0.74973559 1.0 Nb Nb18 1 0.16546332 0.50731465 0.24974965 1.0 Nb Nb19 1 0.66560741 0.99212106 0.25007190 1.0 Si Si20 1 0.65815413 0.95644116 0.45629887 1.0 Si Si21 1 0.15876264 0.54366722 0.04366382 1.0 Si Si22 1 0.34148725 0.04367002 0.95649585 1.0 Si Si23 1 0.84042490 0.45611355 0.54313381 1.0 Si Si24 1 0.34212210 0.04113786 0.54270842 1.0 Si Si25 1 0.84218943 0.45631340 0.95648338 1.0 Si Si26 1 0.65835837 0.95640772 0.04405272 1.0 Si Si27 1 0.15869726 0.54465995 0.45585797 1.0 Si Si28 1 0.45696466 0.36426100 0.75118908 1.0 Si Si29 1 0.95467424 0.13632553 0.75087495 1.0 Si Si30 1 0.54421775 0.63730509 0.24981932 1.0 Si Si31 1 0.04470717 0.86278772 0.24986552 1.0 Si Si32 1 0.69774203 0.89252274 0.74969168 1.0 Si Si33 1 0.19796932 0.60936774 0.75125331 1.0 Si Si34 1 0.30203565 0.10753328 0.24980999 1.0 Si Si35 1 0.80227895 0.39202692 0.24978247 1.0