# generated using pymatgen data_Li11Y14Ti14(S2O5)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90934500 _cell_length_b 11.31889789 _cell_length_c 12.56242914 _cell_angle_alpha 83.65250196 _cell_angle_beta 82.02587505 _cell_angle_gamma 76.35202735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li11Y14Ti14(S2O5)7 _chemical_formula_sum 'Li11 Y14 Ti14 S14 O35' _cell_volume 1215.17774376 _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 Li Li0 1 0.64911900 0.00001300 0.29016500 1.0 Li Li1 1 0.22375000 0.00006900 0.92945200 1.0 Li Li2 1 0.63554800 0.99997600 0.79019800 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.36445200 0.00002400 0.20980200 1.0 Li Li5 1 0.35088100 0.99998700 0.70983500 1.0 Li Li6 1 0.20886400 0.00001700 0.42953000 1.0 Li Li7 1 0.06896800 0.99996300 0.15020000 1.0 Li Li8 1 0.77625000 0.99993100 0.07054800 1.0 Li Li9 1 0.93103200 0.00003700 0.84980000 1.0 Li Li10 1 0.79113600 0.99998300 0.57047000 1.0 Y Y11 1 0.66534900 0.67366200 0.16537300 1.0 Y Y12 1 0.62406600 0.32618800 0.40498300 1.0 Y Y13 1 0.47854800 0.32643700 0.11891900 1.0 Y Y14 1 0.37593400 0.67381200 0.59501700 1.0 Y Y15 1 0.52145200 0.67356300 0.88108100 1.0 Y Y16 1 0.09283600 0.67460100 0.02327700 1.0 Y Y17 1 0.23442600 0.67395900 0.30942800 1.0 Y Y18 1 0.04805500 0.32613100 0.26271900 1.0 Y Y19 1 0.33465100 0.32633800 0.83462700 1.0 Y Y20 1 0.18924400 0.32682600 0.54834200 1.0 Y Y21 1 0.90716400 0.32539900 0.97672300 1.0 Y Y22 1 0.95194500 0.67386900 0.73728100 1.0 Y Y23 1 0.81075600 0.67317400 0.45165800 1.0 Y Y24 1 0.76557400 0.32604100 0.69057200 1.0 Ti Ti25 1 0.62385900 0.81761400 0.65561600 1.0 Ti Ti26 1 0.48047100 0.81759900 0.37043500 1.0 Ti Ti27 1 0.33927500 0.82099900 0.08327500 1.0 Ti Ti28 1 0.66072500 0.17900100 0.91672500 1.0 Ti Ti29 1 0.51952900 0.18240100 0.62956500 1.0 Ti Ti30 1 0.23690400 0.17911600 0.05774000 1.0 Ti Ti31 1 0.37614100 0.18238600 0.34438400 1.0 Ti Ti32 1 0.19291900 0.82118500 0.79667000 1.0 Ti Ti33 1 0.04995200 0.82532200 0.51244900 1.0 Ti Ti34 1 0.90928700 0.82108500 0.22892200 1.0 Ti Ti35 1 0.76309600 0.82088400 0.94226000 1.0 Ti Ti36 1 0.80708100 0.17881500 0.20333000 1.0 Ti Ti37 1 0.09071300 0.17891500 0.77107800 1.0 Ti Ti38 1 0.95004800 0.17467800 0.48755100 1.0 S S39 1 0.68807500 0.59005100 0.67236100 1.0 S S40 1 0.54539300 0.58991200 0.38612400 1.0 S S41 1 0.40009600 0.58929400 0.10148200 1.0 S S42 1 0.59990400 0.41070600 0.89851800 1.0 S S43 1 0.31192500 0.40994900 0.32763900 1.0 S S44 1 0.45460700 0.41008800 0.61387600 1.0 S S45 1 0.16582500 0.41050000 0.04292000 1.0 S S46 1 0.97376600 0.58934500 0.24181300 1.0 S S47 1 0.26139900 0.58921400 0.81684000 1.0 S S48 1 0.11821800 0.58800300 0.52935400 1.0 S S49 1 0.83417500 0.58950000 0.95708000 1.0 S S50 1 0.73860100 0.41078600 0.18316000 1.0 S S51 1 0.02623400 0.41065500 0.75818700 1.0 S S52 1 0.88178200 0.41199700 0.47064600 1.0 O O53 1 0.69765800 0.81118900 0.30028100 1.0 O O54 1 0.55732600 0.79926400 0.01438300 1.0 O O55 1 0.26884800 0.81059400 0.94100300 1.0 O O56 1 0.69534600 0.81132200 0.79950500 1.0 O O57 1 0.55377900 0.81159200 0.51349300 1.0 O O58 1 0.58974700 0.18868000 0.27334700 1.0 O O59 1 0.41253500 0.81120100 0.22743000 1.0 O O60 1 0.44267400 0.20073600 0.98561700 1.0 O O61 1 0.58746500 0.18879900 0.77257000 1.0 O O62 1 0.57077400 0.99997400 0.64312500 1.0 O O63 1 0.42922600 0.00002600 0.35687500 1.0 O O64 1 0.41025300 0.81132000 0.72665300 1.0 O O65 1 0.26798600 0.81259400 0.44198800 1.0 O O66 1 0.44622100 0.18840800 0.48650700 1.0 O O67 1 0.30465400 0.18867800 0.20049500 1.0 O O68 1 0.12660400 0.80991700 0.15695900 1.0 O O69 1 0.27735700 0.00001400 0.07460600 1.0 O O70 1 0.16075600 0.18752300 0.41516000 1.0 O O71 1 0.98735200 0.79745200 0.37274300 1.0 O O72 1 0.30234200 0.18881100 0.69971900 1.0 O O73 1 0.12846300 0.79745200 0.65624300 1.0 O O74 1 0.01790700 0.19005700 0.12979900 1.0 O O75 1 0.83936200 0.81067200 0.08602700 1.0 O O76 1 0.72264300 0.99998600 0.92539400 1.0 O O77 1 0.87153700 0.20254800 0.34375700 1.0 O O78 1 0.85441700 0.99995600 0.20942700 1.0 O O79 1 0.16063800 0.18932800 0.91397300 1.0 O O80 1 0.00000000 0.00000000 0.50000000 1.0 O O81 1 0.98209300 0.80994300 0.87020100 1.0 O O82 1 0.14558300 0.00004400 0.79057300 1.0 O O83 1 0.01264800 0.20254800 0.62725700 1.0 O O84 1 0.83924400 0.81247700 0.58484000 1.0 O O85 1 0.73115200 0.18940600 0.05899700 1.0 O O86 1 0.73201400 0.18740600 0.55801200 1.0 O O87 1 0.87339600 0.19008300 0.84304100 1.0