# generated using pymatgen data_Li6Zn3(PS4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12758334 _cell_length_b 11.50695332 _cell_length_c 22.97533952 _cell_angle_alpha 89.89407205 _cell_angle_beta 90.00967199 _cell_angle_gamma 89.95108936 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Zn3(PS4)4 _chemical_formula_sum 'Li24 Zn12 P16 S64' _cell_volume 2413.11038945 _cell_formula_units_Z 4 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 Li Li0 1 0.74692958 0.99432618 0.62681807 1.0 Li Li1 1 0.74746450 0.99383607 0.87317902 1.0 Li Li2 1 0.25232949 0.75154625 0.74897383 1.0 Li Li3 1 0.24815738 0.73890280 0.99851095 1.0 Li Li4 1 0.50558421 0.49807165 0.25117462 1.0 Li Li5 1 0.50314483 0.00005299 0.25004705 1.0 Li Li6 1 0.50009388 0.50180041 0.50130529 1.0 Li Li7 1 0.49852144 -0.00002110 0.49596694 1.0 Li Li8 1 0.00611927 0.75223016 0.37377584 1.0 Li Li9 1 0.00281301 0.25036564 0.37491170 1.0 Li Li10 1 0.50437361 0.49979992 0.75033338 1.0 Li Li11 1 0.49276801 0.00191210 0.74901517 1.0 Li Li12 1 0.00510446 0.74819457 0.62156538 1.0 Li Li13 1 0.00114327 0.25192830 0.62500508 1.0 Li Li14 1 0.50943877 0.49767207 0.99882693 1.0 Li Li15 1 0.49309862 0.00199767 0.00337067 1.0 Li Li16 1 0.99386317 0.74703665 0.87418347 1.0 Li Li17 1 0.00072352 0.25345922 0.87600443 1.0 Li Li18 1 0.99692283 0.74973942 0.12755253 1.0 Li Li19 1 0.00099912 0.25171882 0.12481248 1.0 Li Li20 1 0.50001398 0.74770886 0.62321441 1.0 Li Li21 1 0.51053311 0.74723708 0.87608671 1.0 Li Li22 1 0.00835275 0.00209312 0.74878040 1.0 Li Li23 1 0.99242559 0.49793042 0.00070254 1.0 Zn Zn24 1 0.49947202 0.25164912 0.12415606 1.0 Zn Zn25 1 0.50667065 0.74786171 0.12766782 1.0 Zn Zn26 1 0.50071999 0.25009845 0.37408545 1.0 Zn Zn27 1 0.49950331 0.75070905 0.37572767 1.0 Zn Zn28 1 0.00174777 0.49922833 0.25004864 1.0 Zn Zn29 1 0.99762745 0.00089148 0.25014464 1.0 Zn Zn30 1 0.49099548 0.25004852 0.62540203 1.0 Zn Zn31 1 0.00002340 0.49993934 0.49977254 1.0 Zn Zn32 1 0.00554596 0.00160036 0.49832358 1.0 Zn Zn33 1 0.49160251 0.25261032 0.87549872 1.0 Zn Zn34 1 0.99146977 0.50010113 0.74989639 1.0 Zn Zn35 1 0.99963418 0.00035433 0.00196467 1.0 P P36 1 0.75064642 0.24968745 0.24980190 1.0 P P37 1 0.75100382 0.74990222 0.25104171 1.0 P P38 1 0.75135235 0.24953522 0.49973380 1.0 P P39 1 0.74983644 0.74578687 0.49897706 1.0 P P40 1 0.25092352 0.49997759 0.37518714 1.0 P P41 1 0.25087286 0.00093758 0.37388768 1.0 P P42 1 0.74726983 0.24949820 0.74734350 1.0 P P43 1 0.75054055 0.75185009 0.75134280 1.0 P P44 1 0.24571873 0.49841316 0.62764900 1.0 P P45 1 0.25339948 0.99674428 0.62144676 1.0 P P46 1 0.74575787 0.24683645 0.00178814 1.0 P P47 1 0.75182371 0.75879894 0.99992619 1.0 P P48 1 0.24837131 0.49567376 0.87702902 1.0 P P49 1 0.24913717 0.00271287 0.87416242 1.0 P P50 1 0.25410027 0.50499890 0.12590884 1.0 P P51 1 0.24770270 0.00008315 0.12561127 1.0 S S52 1 0.86194266 0.35336470 0.05215201 1.0 S S53 1 0.86870788 0.86474316 0.05522630 1.0 S S54 1 0.86576055 0.36104178 0.30213045 1.0 S S55 1 0.86686834 0.86151226 0.30280980 1.0 S S56 1 0.37170979 0.61176762 0.17974398 1.0 S S57 1 0.36719475 0.10952206 0.17667687 1.0 S S58 1 0.86510636 0.36020200 0.55209951 1.0 S S59 1 0.87118975 0.86124020 0.55038585 1.0 S S60 1 0.36545644 0.61134725 0.42754928 1.0 S S61 1 0.36386119 0.11346193 0.42611244 1.0 S S62 1 0.86013523 0.35843876 0.80113757 1.0 S S63 1 0.87542918 0.86003630 0.80208261 1.0 S S64 1 0.36834158 0.60623478 0.67787806 1.0 S S65 1 0.36060990 0.11033887 0.67643694 1.0 S S66 1 0.37101344 0.60597810 0.92676539 1.0 S S67 1 0.37121814 0.10711144 0.92765589 1.0 S S68 1 0.63454012 0.64637294 0.30663984 1.0 S S69 1 0.63640819 0.14488122 0.30591165 1.0 S S70 1 0.64094640 0.64364004 0.55407942 1.0 S S71 1 0.62783076 0.14529454 0.55504101 1.0 S S72 1 0.13721109 0.89613117 0.42988517 1.0 S S73 1 0.13608384 0.39504005 0.43096754 1.0 S S74 1 0.63303707 0.64614166 0.80255630 1.0 S S75 1 0.62539244 0.14626067 0.80406627 1.0 S S76 1 0.13110049 0.89410914 0.67581797 1.0 S S77 1 0.12742788 0.39360276 0.68198149 1.0 S S78 1 0.63185945 0.65196461 0.05417808 1.0 S S79 1 0.62732269 0.14116193 0.05585379 1.0 S S80 1 0.13026539 0.89480059 0.93089588 1.0 S S81 1 0.12845433 0.39559160 0.92928397 1.0 S S82 1 0.13272885 0.89602918 0.18114213 1.0 S S83 1 0.13753504 0.39812068 0.18044918 1.0 S S84 1 0.86566057 0.13879657 0.19728122 1.0 S S85 1 0.86383366 0.63749064 0.19868273 1.0 S S86 1 0.86375572 0.13780836 0.44712727 1.0 S S87 1 0.87630850 0.64252148 0.44664257 1.0 S S88 1 0.36613014 0.38886774 0.32265164 1.0 S S89 1 0.36650016 0.88901062 0.32216377 1.0 S S90 1 0.86718010 0.14071872 0.69681654 1.0 S S91 1 0.87518766 0.64744895 0.69770383 1.0 S S92 1 0.36098192 0.38901432 0.57395417 1.0 S S93 1 0.37605571 0.89528806 0.57029150 1.0 S S94 1 0.86694772 0.13578274 0.94802334 1.0 S S95 1 0.86738329 0.64997965 0.94959562 1.0 S S96 1 0.36695328 0.39134718 0.82206477 1.0 S S97 1 0.37045560 0.89207416 0.82410965 1.0 S S98 1 0.36840419 0.39370582 0.07298159 1.0 S S99 1 0.36768311 0.88599852 0.07460115 1.0 S S100 1 0.63390790 0.35347888 0.19433134 1.0 S S101 1 0.63852577 0.85603858 0.19491699 1.0 S S102 1 0.63134134 0.35284188 0.44541757 1.0 S S103 1 0.63869997 0.85398369 0.44308769 1.0 S S104 1 0.13571197 0.60395882 0.31911579 1.0 S S105 1 0.13451878 0.10511283 0.31827439 1.0 S S106 1 0.62761220 0.35394053 0.69372867 1.0 S S107 1 0.62764977 0.85480795 0.69672015 1.0 S S108 1 0.13454092 0.60190526 0.56982924 1.0 S S109 1 0.12810915 0.10470899 0.56978875 1.0 S S110 1 0.63533837 0.35006569 0.94359310 1.0 S S111 1 0.62442391 0.86287008 0.94841803 1.0 S S112 1 0.12927315 0.60258801 0.81993797 1.0 S S113 1 0.12590606 0.10477226 0.82372563 1.0 S S114 1 0.12940897 0.60578234 0.07238208 1.0 S S115 1 0.13853629 0.10574354 0.06881121 1.0