# generated using pymatgen data_Li2FeCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41014313 _cell_length_b 7.27618000 _cell_length_c 36.41412607 _cell_angle_alpha 60.15170447 _cell_angle_beta 60.77726982 _cell_angle_gamma 60.96975244 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2FeCl4 _chemical_formula_sum 'Li20 Fe10 Cl40' _cell_volume 1407.99226841 _cell_formula_units_Z 10 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 0.40697679 0.04339922 0.20849615 1.0 Li Li1 1 0.51227588 0.98832478 0.09878103 1.0 Li Li2 1 0.51256329 0.48865580 0.19997638 1.0 Li Li3 1 0.39618160 0.03031472 0.41240963 1.0 Li Li4 1 0.01421432 0.49430242 0.49573514 1.0 Li Li5 1 0.92612624 0.85699367 0.16929511 1.0 Li Li6 1 0.50738982 0.00911771 0.29829974 1.0 Li Li7 1 0.50127529 0.48517327 0.40377368 1.0 Li Li8 1 -0.00062619 0.50251300 0.69635647 1.0 Li Li9 1 0.92852512 0.84453440 0.37051544 1.0 Li Li10 1 0.07140999 0.16401186 0.82652114 1.0 Li Li11 1 0.49811592 0.02190530 0.49671982 1.0 Li Li12 1 0.98226242 0.48742822 0.90809791 1.0 Li Li13 1 0.50144296 0.00274318 0.80003898 1.0 Li Li14 1 0.42727933 0.04432346 0.60102632 1.0 Li Li15 1 0.92497183 0.85148491 0.57072113 1.0 Li Li16 1 0.50937420 0.00471709 0.69696684 1.0 Li Li17 1 0.93549592 0.84250858 0.77163715 1.0 Li Li18 1 0.48460384 0.99680189 0.90615105 1.0 Li Li19 1 0.87532790 0.86561352 0.97559890 1.0 Fe Fe20 1 0.03498621 0.51068313 0.09572200 1.0 Fe Fe21 1 0.48482143 0.50127252 0.09470559 1.0 Fe Fe22 1 0.00498867 0.49618132 0.30039519 1.0 Fe Fe23 1 0.50477332 0.48998091 0.29793945 1.0 Fe Fe24 1 0.51046677 0.48764613 0.49678715 1.0 Fe Fe25 1 0.50846160 0.49474225 0.60630832 1.0 Fe Fe26 1 0.51150487 0.49517522 0.69211674 1.0 Fe Fe27 1 0.49848011 0.50179923 0.80060626 1.0 Fe Fe28 1 0.48384932 0.49371762 0.90357685 1.0 Fe Fe29 1 0.46934936 0.50904926 0.01102611 1.0 Cl Cl30 1 0.24963939 0.27483098 0.05182684 1.0 Cl Cl31 1 0.24396043 0.76701588 0.04993608 1.0 Cl Cl32 1 0.25680416 0.26097551 0.14610955 1.0 Cl Cl33 1 0.72133620 0.26751718 0.05102725 1.0 Cl Cl34 1 0.24344445 0.26954664 0.25288706 1.0 Cl Cl35 1 0.30161165 0.72451135 0.14418925 1.0 Cl Cl36 1 0.73958405 0.25205225 0.14851136 1.0 Cl Cl37 1 0.75898437 0.72041839 0.05489069 1.0 Cl Cl38 1 0.25826530 0.25975416 0.34708635 1.0 Cl Cl39 1 0.25552744 0.73615694 0.25193391 1.0 Cl Cl40 1 0.71800550 0.27131286 0.25324235 1.0 Cl Cl41 1 0.76707192 0.73202881 0.14616053 1.0 Cl Cl42 1 0.25681328 0.25915719 0.45144363 1.0 Cl Cl43 1 0.30695933 0.72405758 0.34480333 1.0 Cl Cl44 1 0.75716810 0.25956873 0.34641311 1.0 Cl Cl45 1 0.25694806 0.27015476 0.54621088 1.0 Cl Cl46 1 0.74689011 0.74271978 0.25096880 1.0 Cl Cl47 1 0.26080879 0.73171591 0.45266893 1.0 Cl Cl48 1 0.76846180 0.72990734 0.34565878 1.0 Cl Cl49 1 0.73109326 0.26165314 0.45410510 1.0 Cl Cl50 1 0.27082550 0.26177161 0.65018677 1.0 Cl Cl51 1 0.30262469 0.71954989 0.54902286 1.0 Cl Cl52 1 0.72862552 0.25895595 0.55289432 1.0 Cl Cl53 1 0.26957271 0.25395806 0.74721842 1.0 Cl Cl54 1 0.72882072 0.75091067 0.45104287 1.0 Cl Cl55 1 0.25571190 0.73974660 0.65134574 1.0 Cl Cl56 1 0.71967127 0.74815694 0.55506814 1.0 Cl Cl57 1 0.74087076 0.25024208 0.65148614 1.0 Cl Cl58 1 0.26201970 0.26033565 0.84699861 1.0 Cl Cl59 1 0.30736782 0.72259434 0.74529841 1.0 Cl Cl60 1 0.25753773 0.75516060 0.84729858 1.0 Cl Cl61 1 0.74190836 0.25165885 0.75069857 1.0 Cl Cl62 1 0.73901112 0.73909826 0.65193999 1.0 Cl Cl63 1 0.25576123 0.27451912 0.94431286 1.0 Cl Cl64 1 0.70391768 0.26606219 0.85269641 1.0 Cl Cl65 1 0.73986448 0.74007623 0.75192571 1.0 Cl Cl66 1 0.27292599 0.73348561 0.95072604 1.0 Cl Cl67 1 0.72623177 0.27222101 0.94973241 1.0 Cl Cl68 1 0.72509838 0.74596282 0.85138537 1.0 Cl Cl69 1 0.72538693 0.73536359 0.95234636 1.0