# generated using pymatgen data_Sm8Al53Si17Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.57391526 _cell_length_b 11.48490992 _cell_length_c 11.49661937 _cell_angle_alpha 90.01689049 _cell_angle_beta 89.93285354 _cell_angle_gamma 90.02675136 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm8Al53Si17Ru12 _chemical_formula_sum 'Sm8 Al53 Si17 Ru12' _cell_volume 1528.19114919 _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 Sm Sm0 1 0.32268816 0.67828860 0.32214379 1.0 Sm Sm1 1 0.67789401 0.32266957 0.32232236 1.0 Sm Sm2 1 0.32279870 0.32255115 0.67698950 1.0 Sm Sm3 1 0.67726729 0.67781195 0.67693256 1.0 Sm Sm4 1 0.67653355 0.32310818 0.67717487 1.0 Sm Sm5 1 0.32318131 0.67681150 0.67840291 1.0 Sm Sm6 1 0.67760071 0.67734495 0.32308028 1.0 Sm Sm7 1 0.32281391 0.32138303 0.32360820 1.0 Al Al8 1 0.36323594 0.87362087 0.12557108 1.0 Al Al9 1 0.12732485 0.87435082 0.36509292 1.0 Al Al10 1 0.12715349 0.63466797 0.12653677 1.0 Al Al11 1 0.63673138 0.12615622 0.12535515 1.0 Al Al12 1 0.87450174 0.12633308 0.36543891 1.0 Al Al13 1 0.87317153 0.36198898 0.12564425 1.0 Al Al14 1 0.36337111 0.12537674 0.87397635 1.0 Al Al15 1 0.12534883 0.12521469 0.63922030 1.0 Al Al16 1 0.12606635 0.36046872 0.87531235 1.0 Al Al17 1 0.63812936 0.87460449 0.87389282 1.0 Al Al18 1 0.87342416 0.87528981 0.63787292 1.0 Al Al19 1 0.87383174 0.63454768 0.87467189 1.0 Al Al20 1 0.63700871 0.12555085 0.87349747 1.0 Al Al21 1 0.87315060 0.12577974 0.63596449 1.0 Al Al22 1 0.87323019 0.36479362 0.87494251 1.0 Al Al23 1 0.36381629 0.87342611 0.87442386 1.0 Al Al24 1 0.12718819 0.87385126 0.63456014 1.0 Al Al25 1 0.12643797 0.63774864 0.87478799 1.0 Al Al26 1 0.63678833 0.87385426 0.12591072 1.0 Al Al27 1 0.87371992 0.87422499 0.36360912 1.0 Al Al28 1 0.87387854 0.63798317 0.12635010 1.0 Al Al29 1 0.36422555 0.12561994 0.12677926 1.0 Al Al30 1 0.12591568 0.12509018 0.36152412 1.0 Al Al31 1 0.12683164 0.36599748 0.12735144 1.0 Al Al32 1 0.11257711 0.50028151 0.32338540 1.0 Al Al33 1 0.50075160 0.67780450 0.11293686 1.0 Al Al34 1 0.32237824 0.88667871 0.50121946 1.0 Al Al35 1 0.50115950 0.88663706 0.32118636 1.0 Al Al36 1 0.32279545 0.49895813 0.11263300 1.0 Al Al37 1 0.11265238 0.67782864 0.50058597 1.0 Al Al38 1 0.88671583 0.49998796 0.32233759 1.0 Al Al39 1 0.49986332 0.32118292 0.11327399 1.0 Al Al40 1 0.67927942 0.11399147 0.50045365 1.0 Al Al41 1 0.50143795 0.11378050 0.32132215 1.0 Al Al42 1 0.67919597 0.49974257 0.11298957 1.0 Al Al43 1 0.88669975 0.32154326 0.50123796 1.0 Al Al44 1 0.11295109 0.50004352 0.67982254 1.0 Al Al45 1 0.50009974 0.32042434 0.88586808 1.0 Al Al46 1 0.32074817 0.11402359 0.50136737 1.0 Al Al47 1 0.50032724 0.11369809 0.67889899 1.0 Al Al48 1 0.32122600 0.49858261 0.88559842 1.0 Al Al49 1 0.11280548 0.32112983 0.50088277 1.0 Al Al50 1 0.88650448 0.49979339 0.67905261 1.0 Al Al51 1 0.50142725 0.67911403 0.88595277 1.0 Al Al52 1 0.67885214 0.88652701 0.50022180 1.0 Al Al53 1 0.50013731 0.88621060 0.67953003 1.0 Al Al54 1 0.67851626 0.49991692 0.88563239 1.0 Al Al55 1 0.88667775 0.67862651 0.50096329 1.0 Al Al56 1 0.49991705 0.50003810 0.50015052 1.0 Al Al57 1 0.99686395 0.84931536 0.15485889 1.0 Al Al58 1 0.15682609 0.84391593 0.99494885 1.0 Al Al59 1 0.16202150 0.00119280 0.15386977 1.0 Al Al60 1 0.99740310 0.15489937 0.15048883 1.0 Si Si61 1 0.00021539 0.99984630 0.50068034 1.0 Si Si62 1 0.00008353 0.49994902 0.00032402 1.0 Si Si63 1 0.50017898 0.99983499 0.00020975 1.0 Si Si64 1 0.25854996 0.50038942 0.50013776 1.0 Si Si65 1 0.50005997 0.49975696 0.25879483 1.0 Si Si66 1 0.50021707 0.74056176 0.50029405 1.0 Si Si67 1 0.74133326 0.49994360 0.50021772 1.0 Si Si68 1 0.50043531 0.25969434 0.50020371 1.0 Si Si69 1 0.49992435 0.49991101 0.74104303 1.0 Si Si70 1 0.83838333 0.15127061 0.99710152 1.0 Si Si71 1 0.83508424 0.99969291 0.14950944 1.0 Si Si72 1 0.00402329 0.15513307 0.84747673 1.0 Si Si73 1 0.15903642 0.15516187 0.99628591 1.0 Si Si74 1 0.15459504 0.00465730 0.83972010 1.0 Si Si75 1 0.99771114 0.84968375 0.84262129 1.0 Si Si76 1 0.83640649 0.84813226 0.99891161 1.0 Si Si77 1 0.84218873 0.99680127 0.84579562 1.0 Ru Ru78 1 0.99900321 0.69565595 0.30512759 1.0 Ru Ru79 1 0.30724377 0.69248585 0.99866239 1.0 Ru Ru80 1 0.30855475 0.00043562 0.30802954 1.0 Ru Ru81 1 0.99919558 0.30476143 0.30454092 1.0 Ru Ru82 1 0.69579096 0.30327319 0.99870471 1.0 Ru Ru83 1 0.69678224 0.00075227 0.30458657 1.0 Ru Ru84 1 0.99930781 0.30194080 0.69946651 1.0 Ru Ru85 1 0.30487753 0.30323876 0.99916563 1.0 Ru Ru86 1 0.30491578 0.00069869 0.69689122 1.0 Ru Ru87 1 0.99885368 0.69869406 0.69869957 1.0 Ru Ru88 1 0.69655582 0.69539528 0.99936770 1.0 Ru Ru89 1 0.69642147 0.99986920 0.69681897 1.0