# generated using pymatgen data_Li3Y14Ti14(S2O5)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63834200 _cell_length_b 11.65726917 _cell_length_c 12.17272603 _cell_angle_alpha 84.04174185 _cell_angle_beta 82.06657216 _cell_angle_gamma 77.17766790 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Y14Ti14(S2O5)7 _chemical_formula_sum 'Li3 Y14 Ti14 S14 O35' _cell_volume 1180.37736327 _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 0.50000000 0.00000000 0.50000000 1.0 Li Li1 1 0.92791600 0.00002800 0.85286400 1.0 Li Li2 1 0.07208400 0.99997200 0.14713600 1.0 Y Y3 1 0.52506900 0.66525000 0.88075700 1.0 Y Y4 1 0.33294800 0.33482600 0.83307100 1.0 Y Y5 1 0.47493100 0.33475000 0.11924300 1.0 Y Y6 1 0.95378100 0.66846800 0.73733200 1.0 Y Y7 1 0.09351700 0.67110700 0.02356900 1.0 Y Y8 1 0.23530400 0.66853800 0.31034500 1.0 Y Y9 1 0.37993100 0.66898300 0.59378200 1.0 Y Y10 1 0.76469600 0.33146200 0.68965500 1.0 Y Y11 1 0.90648300 0.32889300 0.97643100 1.0 Y Y12 1 0.04621900 0.33153200 0.26266800 1.0 Y Y13 1 0.19044200 0.33187900 0.54665600 1.0 Y Y14 1 0.66705200 0.66517400 0.16692900 1.0 Y Y15 1 0.80955800 0.66812100 0.45334400 1.0 Y Y16 1 0.62006900 0.33101700 0.40621800 1.0 Ti Ti17 1 0.19713300 0.83596700 0.79479000 1.0 Ti Ti18 1 0.33655900 0.83620400 0.08013300 1.0 Ti Ti19 1 0.47143100 0.83568900 0.36487800 1.0 Ti Ti20 1 0.10314400 0.16457200 0.77114400 1.0 Ti Ti21 1 0.24286500 0.16428800 0.05668800 1.0 Ti Ti22 1 0.37748700 0.16425800 0.34157300 1.0 Ti Ti23 1 0.52856900 0.16431100 0.63512200 1.0 Ti Ti24 1 0.62251300 0.83574200 0.65842700 1.0 Ti Ti25 1 0.75713500 0.83571200 0.94331200 1.0 Ti Ti26 1 0.89685600 0.83542800 0.22885600 1.0 Ti Ti27 1 0.04577300 0.83929900 0.51154800 1.0 Ti Ti28 1 0.66344100 0.16379600 0.91986700 1.0 Ti Ti29 1 0.80286700 0.16403300 0.20521000 1.0 Ti Ti30 1 0.95422700 0.16070100 0.48845200 1.0 S S31 1 0.25747900 0.59096400 0.81552000 1.0 S S32 1 0.54504300 0.59162900 0.38767900 1.0 S S33 1 0.39892400 0.59036700 0.10190800 1.0 S S34 1 0.02330000 0.40848400 0.75731100 1.0 S S35 1 0.16503400 0.40927600 0.04339400 1.0 S S36 1 0.31265100 0.40827300 0.32953100 1.0 S S37 1 0.45495700 0.40837100 0.61232100 1.0 S S38 1 0.83496600 0.59072400 0.95660600 1.0 S S39 1 0.68734900 0.59172700 0.67046900 1.0 S S40 1 0.97670000 0.59151600 0.24268900 1.0 S S41 1 0.11826100 0.58752300 0.52989400 1.0 S S42 1 0.60107600 0.40963300 0.89809200 1.0 S S43 1 0.74252100 0.40903600 0.18448000 1.0 S S44 1 0.88173900 0.41247700 0.47010600 1.0 O O45 1 0.41811500 0.79813600 0.72839200 1.0 O O46 1 0.55830800 0.79574200 0.01464500 1.0 O O47 1 0.44169200 0.20425800 0.98535500 1.0 O O48 1 0.30281700 0.20200200 0.69953500 1.0 O O49 1 0.13134100 0.79849800 0.65650000 1.0 O O50 1 0.41356300 0.79843200 0.22683900 1.0 O O51 1 0.55299800 0.81362600 0.51332200 1.0 O O52 1 0.27435800 0.79711100 0.94204700 1.0 O O53 1 0.13975500 0.00006700 0.78684900 1.0 O O54 1 0.15850400 0.20259600 0.91301500 1.0 O O55 1 0.12346000 0.81391600 0.15567800 1.0 O O56 1 0.29841000 0.20145400 0.19820000 1.0 O O57 1 0.27956700 0.00005000 0.07218900 1.0 O O58 1 0.98315700 0.81385900 0.87096600 1.0 O O59 1 0.42805400 0.99999100 0.35998900 1.0 O O60 1 0.44700200 0.18637400 0.48667800 1.0 O O61 1 0.27019300 0.79854900 0.44171000 1.0 O O62 1 0.70159000 0.79854600 0.80180000 1.0 O O63 1 0.87654000 0.18608400 0.84432200 1.0 O O64 1 0.84149600 0.79740400 0.08698500 1.0 O O65 1 0.98390400 0.79843600 0.37254900 1.0 O O66 1 0.01684300 0.18614100 0.12903400 1.0 O O67 1 0.15516400 0.20165500 0.41284300 1.0 O O68 1 0.58643700 0.20156800 0.77316100 1.0 O O69 1 0.86865900 0.20150200 0.34350000 1.0 O O70 1 0.72043300 0.99995000 0.92781100 1.0 O O71 1 0.72564200 0.20288900 0.05795300 1.0 O O72 1 0.69718300 0.79799800 0.30046500 1.0 O O73 1 0.86024500 0.99993300 0.21315100 1.0 O O74 1 0.00000000 0.00000000 0.50000000 1.0 O O75 1 0.01609600 0.20156400 0.62745100 1.0 O O76 1 0.57194600 0.00000900 0.64001100 1.0 O O77 1 0.84483600 0.79834500 0.58715700 1.0 O O78 1 0.58188500 0.20186400 0.27160800 1.0 O O79 1 0.72980700 0.20145100 0.55829000 1.0