# generated using pymatgen data_Sm6Ti4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04123888 _cell_length_b 11.04124998 _cell_length_c 17.90977630 _cell_angle_alpha 89.99991961 _cell_angle_beta 90.00010451 _cell_angle_gamma 120.00003810 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6Ti4Al43 _chemical_formula_sum 'Sm12 Ti8 Al86' _cell_volume 1890.84824557 _cell_formula_units_Z 2 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 0.52935471 0.00000004 0.59625075 1.0 Sm Sm1 1 0.47065346 0.00000019 0.40378619 1.0 Sm Sm2 1 -0.00000023 0.52935355 0.59624896 1.0 Sm Sm3 1 0.47065369 -0.00000007 0.09619397 1.0 Sm Sm4 1 0.00000038 0.52935386 0.90377053 1.0 Sm Sm5 1 0.00000085 0.47065250 0.40378606 1.0 Sm Sm6 1 0.52935545 0.00000006 0.90376959 1.0 Sm Sm7 1 -0.00000008 0.47065077 0.09619438 1.0 Sm Sm8 1 0.47064882 0.47064930 0.59624790 1.0 Sm Sm9 1 0.52934961 0.52934959 0.40378455 1.0 Sm Sm10 1 0.52935124 0.52935174 0.09619526 1.0 Sm Sm11 1 0.47064870 0.47064839 0.90377154 1.0 Ti Ti12 1 -0.00000395 -0.00000128 0.49999459 1.0 Ti Ti13 1 -0.00000407 -0.00000169 0.00000489 1.0 Ti Ti14 1 0.72812194 0.00000082 0.75000271 1.0 Ti Ti15 1 0.27188911 -0.00000086 0.24999611 1.0 Ti Ti16 1 -0.00000303 0.72811752 0.75000241 1.0 Ti Ti17 1 -0.00000047 0.27188560 0.24999683 1.0 Ti Ti18 1 0.27188489 0.27188443 0.75000248 1.0 Ti Ti19 1 0.72811681 0.72811710 0.24999726 1.0 Al Al20 1 0.15272348 0.59837125 0.75000610 1.0 Al Al21 1 0.84727718 0.40163171 0.24999386 1.0 Al Al22 1 0.40163149 0.55435627 0.75000621 1.0 Al Al23 1 0.59837061 0.15272250 0.75000683 1.0 Al Al24 1 0.59837166 0.44565094 0.24999360 1.0 Al Al25 1 0.40163305 0.84727763 0.24999335 1.0 Al Al26 1 0.44564729 0.84727762 0.75000652 1.0 Al Al27 1 0.55435466 0.40162981 0.75000637 1.0 Al Al28 1 0.55435506 0.15272310 0.24999340 1.0 Al Al29 1 0.44564915 0.59837036 0.24999357 1.0 Al Al30 1 0.84727628 0.44564545 0.75000625 1.0 Al Al31 1 0.15272120 0.55435200 0.24999344 1.0 Al Al32 1 0.15520543 -0.00000029 0.11686870 1.0 Al Al33 1 0.84479684 -0.00000336 0.88312330 1.0 Al Al34 1 -0.00000168 0.15520681 0.11687032 1.0 Al Al35 1 0.84479231 0.00000023 0.61688195 1.0 Al Al36 1 0.00000209 0.15521135 0.38312428 1.0 Al Al37 1 -0.00000179 0.84479516 0.88312440 1.0 Al Al38 1 0.15520893 -0.00000008 0.38312375 1.0 Al Al39 1 -0.00000394 0.84479070 0.61687905 1.0 Al Al40 1 0.84478941 0.84479101 0.11687186 1.0 Al Al41 1 0.15520962 0.15521028 0.88312618 1.0 Al Al42 1 0.15521094 0.15521251 0.61687966 1.0 Al Al43 1 0.84478880 0.84478686 0.38312316 1.0 Al Al44 1 0.24747549 0.49494948 0.50001214 1.0 Al Al45 1 0.75252659 0.50505159 0.50001244 1.0 Al Al46 1 0.50505115 0.75252703 0.50001249 1.0 Al Al47 1 0.75252709 0.50505168 -0.00001247 1.0 Al Al48 1 0.49494939 0.24747564 -0.00001291 1.0 Al Al49 1 0.49495005 0.24747657 0.50001279 1.0 Al Al50 1 0.24747500 0.49494881 -0.00001292 1.0 Al Al51 1 0.50505245 0.75252766 -0.00001258 1.0 Al Al52 1 0.24747286 0.75252397 0.50001279 1.0 Al Al53 1 0.75252434 0.24747361 0.50001311 1.0 Al Al54 1 0.75252486 0.24747245 -0.00001287 1.0 Al Al55 1 0.24747288 0.75252470 -0.00001281 1.0 Al Al56 1 0.14602328 -0.00000379 0.75000563 1.0 Al Al57 1 0.85397291 -0.00000201 0.24999231 1.0 Al Al58 1 -0.00000049 0.14602273 0.75001212 1.0 Al Al59 1 -0.00000142 0.85397734 0.24998816 1.0 Al Al60 1 0.85397212 0.85397445 0.75000592 1.0 Al Al61 1 0.14602368 0.14602225 0.24998799 1.0 Al Al62 1 0.33333312 0.66666774 0.62601280 1.0 Al Al63 1 0.66666758 0.33333492 0.37399400 1.0 Al Al64 1 0.66666787 0.33333451 0.12599852 1.0 Al Al65 1 0.66666665 0.33333208 0.87399432 1.0 Al Al66 1 0.33333359 0.66666821 0.87399448 1.0 Al Al67 1 0.33333424 0.66666677 0.12599855 1.0 Al Al68 1 0.33333319 0.66666660 0.37399369 1.0 Al Al69 1 0.66666753 0.33333319 0.62601293 1.0 Al Al70 1 0.25052811 -0.00000044 0.52953061 1.0 Al Al71 1 0.74946792 -0.00000028 0.47047804 1.0 Al Al72 1 -0.00000157 0.25052923 0.52953020 1.0 Al Al73 1 0.74946969 -0.00000054 0.02951986 1.0 Al Al74 1 -0.00000146 0.25052704 0.97047187 1.0 Al Al75 1 -0.00000115 0.74946928 0.47047787 1.0 Al Al76 1 0.25052684 -0.00000064 0.97047210 1.0 Al Al77 1 -0.00000142 0.74947019 0.02951998 1.0 Al Al78 1 0.74946927 0.74947052 0.52953042 1.0 Al Al79 1 0.25052910 0.25052960 0.47047699 1.0 Al Al80 1 0.25052749 0.25052779 0.02952030 1.0 Al Al81 1 0.74947128 0.74947109 0.97047176 1.0 Al Al82 1 0.15879782 0.39236422 0.66470784 1.0 Al Al83 1 0.84121005 0.60764392 0.33530220 1.0 Al Al84 1 0.60763509 0.76643198 0.66471004 1.0 Al Al85 1 0.84120821 0.60764567 0.16469179 1.0 Al Al86 1 0.39235760 0.15879019 0.83530502 1.0 Al Al87 1 0.39235961 0.23356870 0.33529857 1.0 Al Al88 1 0.15879689 0.39236584 0.83530281 1.0 Al Al89 1 0.60764604 0.84120905 0.16469140 1.0 Al Al90 1 0.23356799 0.84120479 0.66470949 1.0 Al Al91 1 0.39235801 0.23356718 0.16468972 1.0 Al Al92 1 0.76643280 0.60763514 0.83530145 1.0 Al Al93 1 0.76643305 0.15878908 0.33530084 1.0 Al Al94 1 0.60763518 0.76643069 0.83530159 1.0 Al Al95 1 0.23356442 0.39235623 0.16469069 1.0 Al Al96 1 0.60764331 0.84121024 0.33530235 1.0 Al Al97 1 0.39236477 0.15879424 0.66470863 1.0 Al Al98 1 0.76643482 0.15878954 0.16469047 1.0 Al Al99 1 0.23356560 0.39235792 0.33529772 1.0 Al Al100 1 0.23356659 0.84120171 0.83530156 1.0 Al Al101 1 0.76643544 0.60763626 0.66470880 1.0 Al Al102 1 0.84120530 0.23356841 0.83530159 1.0 Al Al103 1 0.15878948 0.76643343 0.16468940 1.0 Al Al104 1 0.15878909 0.76643181 0.33529881 1.0 Al Al105 1 0.84119985 0.23356337 0.66471053 1.0