# generated using pymatgen data_Sc5OsCl9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.77405113 _cell_length_b 11.77405113 _cell_length_c 22.58564082 _cell_angle_alpha 105.10883887 _cell_angle_beta 105.10883887 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5OsCl9 _chemical_formula_sum 'Sc40 Os8 Cl72' _cell_volume 2910.52390363 _cell_formula_units_Z 8 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 Sc Sc0 1 0.47850539 0.36276436 0.31184944 1.0 Sc Sc1 1 0.83334406 0.44908509 0.31184944 1.0 Sc Sc2 1 0.86276436 0.33334406 0.81184944 1.0 Sc Sc3 1 0.94908509 0.97850539 0.81184944 1.0 Sc Sc4 1 0.52149461 0.63723564 0.68815056 1.0 Sc Sc5 1 0.16665594 0.55091491 0.68815056 1.0 Sc Sc6 1 0.13723564 0.66665594 0.18815056 1.0 Sc Sc7 1 0.05091491 0.02149461 0.18815056 1.0 Sc Sc8 1 0.10413368 0.59264386 0.32464014 1.0 Sc Sc9 1 0.22050646 0.23199629 0.32464014 1.0 Sc Sc10 1 0.09264386 0.72050646 0.82464014 1.0 Sc Sc11 1 0.73199629 0.60413368 0.82464014 1.0 Sc Sc12 1 0.89586632 0.40735614 0.67535986 1.0 Sc Sc13 1 0.77949354 0.76800371 0.67535986 1.0 Sc Sc14 1 0.90735614 0.27949354 0.17535986 1.0 Sc Sc15 1 0.26800371 0.39586632 0.17535986 1.0 Sc Sc16 1 0.39444802 0.63159714 0.30944481 1.0 Sc Sc17 1 0.91499678 0.17784767 0.30944481 1.0 Sc Sc18 1 0.13159714 0.41499678 0.80944481 1.0 Sc Sc19 1 0.67784767 0.89444802 0.80944481 1.0 Sc Sc20 1 0.60555198 0.36840286 0.69055519 1.0 Sc Sc21 1 0.08500322 0.82215233 0.69055519 1.0 Sc Sc22 1 0.86840286 0.58500322 0.19055519 1.0 Sc Sc23 1 0.32215233 0.10555198 0.19055519 1.0 Sc Sc24 1 0.35506892 0.50829402 0.42218977 1.0 Sc Sc25 1 0.06712085 0.41389575 0.42218977 1.0 Sc Sc26 1 0.00829402 0.56712085 0.92218977 1.0 Sc Sc27 1 0.91389575 0.85506892 0.92218977 1.0 Sc Sc28 1 0.64493108 0.49170598 0.57781023 1.0 Sc Sc29 1 0.93287915 0.58610425 0.57781023 1.0 Sc Sc30 1 0.99170598 0.43287915 0.07781023 1.0 Sc Sc31 1 0.08610425 0.14493108 0.07781023 1.0 Sc Sc32 1 0.56696879 0.91756999 0.43445226 1.0 Sc Sc33 1 0.86748347 0.01688227 0.43445226 1.0 Sc Sc34 1 0.41756999 0.36748347 0.93445226 1.0 Sc Sc35 1 0.51688227 0.06696879 0.93445226 1.0 Sc Sc36 1 0.43303121 0.08243001 0.56554774 1.0 Sc Sc37 1 0.13251653 0.98311773 0.56554774 1.0 Sc Sc38 1 0.58243001 0.63251653 0.06554774 1.0 Sc Sc39 1 0.48311773 0.93303121 0.06554774 1.0 Os Os40 1 0.27024926 0.43969249 0.30024550 1.0 Os Os41 1 0.02999624 0.36055301 0.30024550 1.0 Os Os42 1 0.93969249 0.52999624 0.80024550 1.0 Os Os43 1 0.86055301 0.77024926 0.80024550 1.0 Os Os44 1 0.72975074 0.56030751 0.69975450 1.0 Os Os45 1 0.97000376 0.63944699 0.69975450 1.0 Os Os46 1 0.06030751 0.47000376 0.19975450 1.0 Os Os47 1 0.13944699 0.22975074 0.19975450 1.0 Cl Cl48 1 0.45810725 0.28194945 0.19013188 1.0 Cl Cl49 1 0.73202464 0.40818244 0.19013188 1.0 Cl Cl50 1 0.78194945 0.23202464 0.69013188 1.0 Cl Cl51 1 0.90818244 0.95810725 0.69013188 1.0 Cl Cl52 1 0.54189275 0.71805055 0.80986812 1.0 Cl Cl53 1 0.26797536 0.59181756 0.80986812 1.0 Cl Cl54 1 0.21805055 0.76797536 0.30986812 1.0 Cl Cl55 1 0.09181756 0.04189275 0.30986812 1.0 Cl Cl56 1 0.17890970 0.62053664 0.44904469 1.0 Cl Cl57 1 0.27013499 0.32850805 0.44904469 1.0 Cl Cl58 1 0.12053664 0.77013499 0.94904469 1.0 Cl Cl59 1 0.82850805 0.67890970 0.94904469 1.0 Cl Cl60 1 0.82109030 0.37946336 0.55095531 1.0 Cl Cl61 1 0.72986501 0.67149195 0.55095531 1.0 Cl Cl62 1 0.87946336 0.22986501 0.05095531 1.0 Cl Cl63 1 0.17149195 0.32109030 0.05095531 1.0 Cl Cl64 1 0.55160428 0.41611562 0.43620425 1.0 Cl Cl65 1 0.88459997 0.52008863 0.43620425 1.0 Cl Cl66 1 0.91611562 0.38459997 0.93620425 1.0 Cl Cl67 1 0.02008863 0.05160428 0.93620425 1.0 Cl Cl68 1 0.44839572 0.58388438 0.56379575 1.0 Cl Cl69 1 0.11540003 0.47991137 0.56379575 1.0 Cl Cl70 1 0.08388438 0.61540003 0.06379575 1.0 Cl Cl71 1 0.97991137 0.94839572 0.06379575 1.0 Cl Cl72 1 0.42302973 0.14851245 0.31178329 1.0 Cl Cl73 1 0.88875356 0.66327084 0.31178329 1.0 Cl Cl74 1 0.64851245 0.38875356 0.81178329 1.0 Cl Cl75 1 0.16327084 0.92302973 0.81178329 1.0 Cl Cl76 1 0.57697027 0.85148755 0.68821671 1.0 Cl Cl77 1 0.11124644 0.33672916 0.68821671 1.0 Cl Cl78 1 0.35148755 0.61124644 0.18821671 1.0 Cl Cl79 1 0.83672916 0.07697027 0.18821671 1.0 Cl Cl80 1 0.50730399 0.84140951 0.32034173 1.0 Cl Cl81 1 0.81303774 0.97893222 0.32034173 1.0 Cl Cl82 1 0.34140951 0.31303774 0.82034173 1.0 Cl Cl83 1 0.47893222 0.00730399 0.82034173 1.0 Cl Cl84 1 0.49269601 0.15859049 0.67965827 1.0 Cl Cl85 1 0.18696226 0.02106778 0.67965827 1.0 Cl Cl86 1 0.65859049 0.68696226 0.17965827 1.0 Cl Cl87 1 0.52106778 0.99269601 0.17965827 1.0 Cl Cl88 1 0.46384848 0.71577442 0.43288316 1.0 Cl Cl89 1 0.96903469 0.21710874 0.43288316 1.0 Cl Cl90 1 0.21577442 0.46903469 0.93288316 1.0 Cl Cl91 1 0.71710874 0.96384848 0.93288316 1.0 Cl Cl92 1 0.53615152 0.28422558 0.56711684 1.0 Cl Cl93 1 0.03096531 0.78289126 0.56711684 1.0 Cl Cl94 1 0.78422558 0.53096531 0.06711684 1.0 Cl Cl95 1 0.28289126 0.03615152 0.06711684 1.0 Cl Cl96 1 0.59857425 0.54421902 0.31491627 1.0 Cl Cl97 1 0.71634202 0.27069726 0.31491627 1.0 Cl Cl98 1 0.04421901 0.21634202 0.81491627 1.0 Cl Cl99 1 0.77069726 0.09857425 0.81491627 1.0 Cl Cl100 1 0.40142575 0.45578098 0.68508373 1.0 Cl Cl101 1 0.28365798 0.72930274 0.68508373 1.0 Cl Cl102 1 0.95578099 0.78365798 0.18508373 1.0 Cl Cl103 1 0.22930274 0.90142575 0.18508373 1.0 Cl Cl104 1 0.38765629 0.02690845 0.44391493 1.0 Cl Cl105 1 0.05625864 0.91700648 0.44391493 1.0 Cl Cl106 1 0.52690845 0.55625864 0.94391493 1.0 Cl Cl107 1 0.41700648 0.88765629 0.94391493 1.0 Cl Cl108 1 0.61234371 0.97309155 0.55608507 1.0 Cl Cl109 1 0.94374136 0.08299352 0.55608507 1.0 Cl Cl110 1 0.47309155 0.44374136 0.05608507 1.0 Cl Cl111 1 0.58299352 0.11234371 0.05608507 1.0 Cl Cl112 1 0.76542667 0.83597540 0.44075105 1.0 Cl Cl113 1 0.67532438 0.10477565 0.44075105 1.0 Cl Cl114 1 0.33597540 0.17532438 0.94075105 1.0 Cl Cl115 1 0.60477565 0.26542667 0.94075105 1.0 Cl Cl116 1 0.23457333 0.16402460 0.55924895 1.0 Cl Cl117 1 0.32467562 0.89522435 0.55924895 1.0 Cl Cl118 1 0.66402460 0.82467562 0.05924895 1.0 Cl Cl119 1 0.39522435 0.73457333 0.05924895 1.0