# generated using pymatgen data_Al79(Fe13Si9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80130200 _cell_length_b 8.80592246 _cell_length_c 24.49414010 _cell_angle_alpha 82.90170220 _cell_angle_beta 82.92133225 _cell_angle_gamma 70.88596969 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al79(Fe13Si9)2 _chemical_formula_sum 'Al79 Fe26 Si18' _cell_volume 1773.02689697 _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 Al Al0 1 0.68005100 0.67925600 0.70523700 1.0 Al Al1 1 0.34701600 0.34708200 0.03818500 1.0 Al Al2 1 0.01374300 0.01290600 0.37155900 1.0 Al Al3 1 0.65298400 0.65291800 0.96181500 1.0 Al Al4 1 0.31994900 0.32074400 0.29476300 1.0 Al Al5 1 0.98625700 0.98709400 0.62844100 1.0 Al Al6 1 0.63136600 0.54666100 0.80982000 1.0 Al Al7 1 0.29832400 0.21342200 0.14281400 1.0 Al Al8 1 0.96478000 0.87720300 0.47727000 1.0 Al Al9 1 0.67127200 0.38245800 0.68699300 1.0 Al Al10 1 0.33628900 0.05164300 0.01962000 1.0 Al Al11 1 0.00014400 0.71729600 0.35147300 1.0 Al Al12 1 0.35334100 0.72846700 0.71600800 1.0 Al Al13 1 0.02247200 0.39365500 0.04818600 1.0 Al Al14 1 0.68961700 0.05871600 0.38049300 1.0 Al Al15 1 0.70167600 0.78657800 0.85718600 1.0 Al Al16 1 0.36863400 0.45333900 0.19018000 1.0 Al Al17 1 0.03522000 0.12279700 0.52273000 1.0 Al Al18 1 0.66371100 0.94835700 0.98038000 1.0 Al Al19 1 0.32872800 0.61754200 0.31300700 1.0 Al Al20 1 0.99985600 0.28270400 0.64852700 1.0 Al Al21 1 0.97752800 0.60634500 0.95181400 1.0 Al Al22 1 0.64665900 0.27153300 0.28399200 1.0 Al Al23 1 0.31038300 0.94128400 0.61950700 1.0 Al Al24 1 0.92742700 0.43125800 0.86461900 1.0 Al Al25 1 0.59473600 0.09895200 0.19804700 1.0 Al Al26 1 0.24620600 0.77517100 0.53353200 1.0 Al Al27 1 0.39346400 0.00342500 0.90258900 1.0 Al Al28 1 0.05919200 0.66979600 0.23653800 1.0 Al Al29 1 0.73654600 0.32512800 0.57400800 1.0 Al Al30 1 0.17065400 0.05713300 0.73495300 1.0 Al Al31 1 0.83813300 0.72318500 0.06773400 1.0 Al Al32 1 0.50341000 0.38374200 0.39612300 1.0 Al Al33 1 0.40526400 0.90104800 0.80195300 1.0 Al Al34 1 0.07257300 0.56874200 0.13538100 1.0 Al Al35 1 0.75379400 0.22482900 0.46646800 1.0 Al Al36 1 0.94080800 0.33020400 0.76346200 1.0 Al Al37 1 0.60653600 0.99657500 0.09741100 1.0 Al Al38 1 0.26345400 0.67487200 0.42599200 1.0 Al Al39 1 0.16186700 0.27681500 0.93226600 1.0 Al Al40 1 0.82934600 0.94286700 0.26504700 1.0 Al Al41 1 0.49659000 0.61625800 0.60387700 1.0 Al Al42 1 0.17378400 0.88075700 0.88354900 1.0 Al Al43 1 0.84077400 0.54692200 0.21641300 1.0 Al Al44 1 0.50764200 0.20059200 0.55471700 1.0 Al Al45 1 0.94947300 0.03593400 0.81416900 1.0 Al Al46 1 0.61621400 0.70177400 0.14719700 1.0 Al Al47 1 0.27615100 0.35852800 0.47948800 1.0 Al Al48 1 0.93781400 0.14568000 0.91204500 1.0 Al Al49 1 0.60363800 0.81362000 0.24422800 1.0 Al Al50 1 0.25720700 0.47841400 0.58303100 1.0 Al Al51 1 0.15922600 0.45307800 0.78358700 1.0 Al Al52 1 0.82621600 0.11924300 0.11645100 1.0 Al Al53 1 0.49235800 0.79940800 0.44528300 1.0 Al Al54 1 0.38378600 0.29822600 0.85280300 1.0 Al Al55 1 0.05052700 0.96406600 0.18583100 1.0 Al Al56 1 0.72384900 0.64147200 0.52051200 1.0 Al Al57 1 0.39636200 0.18638000 0.75577200 1.0 Al Al58 1 0.06218600 0.85432000 0.08795500 1.0 Al Al59 1 0.74279300 0.52158600 0.41696900 1.0 Al Al60 1 0.50000000 0.50000000 0.50000000 1.0 Al Al61 1 0.02483100 0.81602700 0.72647300 1.0 Al Al62 1 0.69233200 0.48268100 0.05966400 1.0 Al Al63 1 0.35875100 0.14636800 0.39170500 1.0 Al Al64 1 0.62556900 0.40518900 0.91628800 1.0 Al Al65 1 0.29203900 0.07319500 0.24897600 1.0 Al Al66 1 0.95669900 0.73888700 0.58360500 1.0 Al Al67 1 0.33489400 0.76527900 0.98596800 1.0 Al Al68 1 0.00239200 0.43279400 0.31848600 1.0 Al Al69 1 0.66850400 0.09815900 0.65473900 1.0 Al Al70 1 0.30766800 0.51731900 0.94033600 1.0 Al Al71 1 0.97516900 0.18397300 0.27352700 1.0 Al Al72 1 0.64124900 0.85363200 0.60829500 1.0 Al Al73 1 0.70796100 0.92680500 0.75102400 1.0 Al Al74 1 0.37443100 0.59481100 0.08371200 1.0 Al Al75 1 0.04330100 0.26111300 0.41639500 1.0 Al Al76 1 0.99760800 0.56720600 0.68151400 1.0 Al Al77 1 0.66510600 0.23472100 0.01403200 1.0 Al Al78 1 0.33149600 0.90184100 0.34526100 1.0 Fe Fe79 1 0.89052000 0.89048500 0.90220000 1.0 Fe Fe80 1 0.55611000 0.55752500 0.23579800 1.0 Fe Fe81 1 0.22477700 0.22373200 0.56863800 1.0 Fe Fe82 1 0.44389000 0.44247500 0.76420200 1.0 Fe Fe83 1 0.10948000 0.10951500 0.09780000 1.0 Fe Fe84 1 0.77522300 0.77626800 0.43136200 1.0 Fe Fe85 1 0.87799800 0.62694600 0.77880200 1.0 Fe Fe86 1 0.54586600 0.29310200 0.11221300 1.0 Fe Fe87 1 0.21311100 0.96103800 0.44589100 1.0 Fe Fe88 1 0.45854900 0.21585100 0.94744500 1.0 Fe Fe89 1 0.12501700 0.88366700 0.28093400 1.0 Fe Fe90 1 0.79230600 0.54890200 0.61359600 1.0 Fe Fe91 1 0.46558200 0.96068400 0.69824200 1.0 Fe Fe92 1 0.13240900 0.62578700 0.03175600 1.0 Fe Fe93 1 0.79818100 0.29348700 0.36440300 1.0 Fe Fe94 1 0.45413400 0.70689800 0.88778700 1.0 Fe Fe95 1 0.12200200 0.37305400 0.22119800 1.0 Fe Fe96 1 0.78688900 0.03896200 0.55410900 1.0 Fe Fe97 1 0.87498300 0.11633300 0.71906600 1.0 Fe Fe98 1 0.54145100 0.78414900 0.05255500 1.0 Fe Fe99 1 0.20769400 0.45109800 0.38640400 1.0 Fe Fe100 1 0.86759100 0.37421300 0.96824400 1.0 Fe Fe101 1 0.53441800 0.03931600 0.30175800 1.0 Fe Fe102 1 0.20181900 0.70651300 0.63559700 1.0 Fe Fe103 1 0.16689200 0.16668800 0.83309600 1.0 Fe Fe104 1 0.83310800 0.83331200 0.16690400 1.0 Si Si105 1 0.01684800 0.70916900 0.83918100 1.0 Si Si106 1 0.68371100 0.37592200 0.17256300 1.0 Si Si107 1 0.35254000 0.03770700 0.50719500 1.0 Si Si108 1 0.66761200 0.10104300 0.88139900 1.0 Si Si109 1 0.33306600 0.76877900 0.21435800 1.0 Si Si110 1 0.99789900 0.43057600 0.54705500 1.0 Si Si111 1 0.99867500 0.87161300 0.98385600 1.0 Si Si112 1 0.66394800 0.53969400 0.31642000 1.0 Si Si113 1 0.32615200 0.20765500 0.65267400 1.0 Si Si114 1 0.31628900 0.62407800 0.82743700 1.0 Si Si115 1 0.98315200 0.29083100 0.16081900 1.0 Si Si116 1 0.64746000 0.96229300 0.49280500 1.0 Si Si117 1 0.66693400 0.23122100 0.78564200 1.0 Si Si118 1 0.33238800 0.89895700 0.11860100 1.0 Si Si119 1 0.00210100 0.56942400 0.45294500 1.0 Si Si120 1 0.33605200 0.46030600 0.68358000 1.0 Si Si121 1 0.00132500 0.12838700 0.01614400 1.0 Si Si122 1 0.67384800 0.79234500 0.34732600 1.0