# generated using pymatgen data_Ag13Bi15I64 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03418954 _cell_length_b 9.27442917 _cell_length_c 74.72163044 _cell_angle_alpha 58.00813567 _cell_angle_beta 58.15077585 _cell_angle_gamma 58.11308631 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag13Bi15I64 _chemical_formula_sum 'Ag13 Bi15 I64' _cell_volume 4233.16916436 _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 Ag Ag0 1 0.50659457 0.00143864 0.99865900 1.0 Ag Ag1 1 0.48622473 0.99370817 0.12834578 1.0 Ag Ag2 1 0.45704177 0.99326679 0.25523282 1.0 Ag Ag3 1 0.48946421 0.00229798 0.37693840 1.0 Ag Ag4 1 0.00410726 0.48284559 0.37792180 1.0 Ag Ag5 1 0.00430726 0.51353184 0.62251955 1.0 Ag Ag6 1 0.49987092 0.99987937 0.49999896 1.0 Ag Ag7 1 0.99898846 0.50088709 0.49992546 1.0 Ag Ag8 1 0.51476509 0.00238314 0.62247037 1.0 Ag Ag9 1 0.00641250 0.52479966 0.87036725 1.0 Ag Ag10 1 0.52550282 0.00285145 0.74564864 1.0 Ag Ag11 1 0.00695110 0.52104199 0.74587066 1.0 Ag Ag12 1 0.52868034 0.99996864 0.87046580 1.0 Bi Bi13 1 0.99486167 0.00472837 0.99941268 1.0 Bi Bi14 1 0.99364063 0.50948903 0.99873835 1.0 Bi Bi15 1 0.00407561 0.49008008 0.12637299 1.0 Bi Bi16 1 0.99335681 0.00645821 0.06242311 1.0 Bi Bi17 1 -0.00046885 0.96012942 0.31597876 1.0 Bi Bi18 1 0.00751797 0.99109479 0.12658156 1.0 Bi Bi19 1 0.99395190 0.47205036 0.25371683 1.0 Bi Bi20 1 0.98582695 0.98989340 0.19541787 1.0 Bi Bi21 1 0.99416118 0.00019515 0.43798053 1.0 Bi Bi22 1 0.00463145 0.00349539 0.56245071 1.0 Bi Bi23 1 0.00741139 0.01007178 0.68214855 1.0 Bi Bi24 1 0.00010544 0.99725463 0.87339102 1.0 Bi Bi25 1 0.01220638 0.01456788 0.93305710 1.0 Bi Bi26 1 0.00081995 0.99781162 0.74780173 1.0 Bi Bi27 1 0.00272433 0.00500592 0.80921249 1.0 I I28 1 0.24956385 0.24116135 0.02957334 1.0 I I29 1 0.24206112 0.25104123 0.09543332 1.0 I I30 1 0.23704875 0.77625729 0.03081444 1.0 I I31 1 0.72859592 0.28739858 0.03089032 1.0 I I32 1 0.25870382 0.24804645 0.15393283 1.0 I I33 1 0.25526146 0.74052713 0.09625315 1.0 I I34 1 0.75559532 0.22421537 0.09483059 1.0 I I35 1 0.75834991 0.75665786 0.02933026 1.0 I I36 1 0.27782156 0.24670561 0.22158547 1.0 I I37 1 0.25687975 0.76071400 0.15442772 1.0 I I38 1 0.75205977 0.25408767 0.15440003 1.0 I I39 1 0.75377318 0.76085529 0.09480969 1.0 I I40 1 0.23637157 0.26547793 0.28172320 1.0 I I41 1 0.25798213 0.75698077 0.21779166 1.0 I I42 1 0.75505818 0.23826965 0.21880378 1.0 I I43 1 0.75868986 0.74580055 0.15493572 1.0 I I44 1 0.24490899 0.24734622 0.35282662 1.0 I I45 1 0.23751846 0.76192629 0.28263825 1.0 I I46 1 0.75149289 0.25256558 0.28152360 1.0 I I47 1 0.76687552 0.75081194 0.21749750 1.0 I I48 1 0.23642418 0.24604493 0.41115357 1.0 I I49 1 0.22782457 0.72464074 0.34601171 1.0 I I50 1 0.74273211 0.76392934 0.27552765 1.0 I I51 1 0.72506155 0.20519940 0.34725692 1.0 I I52 1 0.24968858 0.25495933 0.47647154 1.0 I I53 1 0.26922030 0.78337446 0.40450426 1.0 I I54 1 0.76680832 0.26518845 0.40609443 1.0 I I55 1 0.75736684 0.74887873 0.34010542 1.0 I I56 1 0.24500831 0.23861488 0.53563004 1.0 I I57 1 0.22002335 0.72202193 0.47141287 1.0 I I58 1 0.72974823 0.21297202 0.47127164 1.0 I I59 1 0.74345038 0.74215284 0.39933146 1.0 I I60 1 0.25661055 0.26015976 0.60035268 1.0 I I61 1 0.27150770 0.78690965 0.52850640 1.0 I I62 1 0.77944939 0.27881002 0.52850085 1.0 I I63 1 0.75672690 0.76040467 0.46425542 1.0 I I64 1 0.24333674 0.23902330 0.65774049 1.0 I I65 1 0.23984217 0.74023906 0.59315481 1.0 I I66 1 0.24227925 0.24223085 0.72370130 1.0 I I67 1 0.74501750 0.23039012 0.59350100 1.0 I I68 1 0.74899599 0.74491736 0.52368760 1.0 I I69 1 0.25905947 0.77318513 0.65512299 1.0 I I70 1 0.76282497 0.26329176 0.65543308 1.0 I I71 1 0.75378761 0.75700051 0.59106852 1.0 I I72 1 0.23692764 0.23831126 0.77974886 1.0 I I73 1 0.25519681 0.76019592 0.71984021 1.0 I I74 1 0.24078118 0.24197576 0.84910988 1.0 I I75 1 0.75790497 0.25242138 0.71971667 1.0 I I76 1 0.75888616 0.75225652 0.64682125 1.0 I I77 1 0.23663063 0.75019234 0.78384962 1.0 I I78 1 0.74360535 0.23592069 0.78364831 1.0 I I79 1 0.75455946 0.75393097 0.72039568 1.0 I I80 1 0.23996970 0.24584555 0.90481683 1.0 I I81 1 0.25447393 0.76020717 0.84494623 1.0 I I82 1 0.75764042 0.25056602 0.84456611 1.0 I I83 1 0.75530284 0.75806085 0.77682868 1.0 I I84 1 0.23923440 0.24359568 0.97079161 1.0 I I85 1 0.23760040 0.75394215 0.90755556 1.0 I I86 1 0.74499991 0.23847910 0.90818411 1.0 I I87 1 0.74907368 0.74880695 0.84640587 1.0 I I88 1 0.25880071 0.72500001 0.96720728 1.0 I I89 1 0.75481166 0.23022198 0.96922079 1.0 I I90 1 0.75376928 0.75946039 0.90269915 1.0 I I91 1 0.73869003 0.75799696 0.97078041 1.0