# generated using pymatgen data_Li2Y14Ti14(S2O5)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59631300 _cell_length_b 12.15707490 _cell_length_c 12.89677681 _cell_angle_alpha 67.85049520 _cell_angle_beta 70.53680677 _cell_angle_gamma 81.86812672 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Y14Ti14(S2O5)7 _chemical_formula_sum 'Li2 Y14 Ti14 S14 O35' _cell_volume 1176.80008932 _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 0.00000000 0.50000000 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.00000000 1.0 Y Y2 1 0.78507200 0.23895000 0.33204200 1.0 Y Y3 1 0.93034200 0.52382400 0.33211700 1.0 Y Y4 1 0.92650000 0.18977300 0.66933200 1.0 Y Y5 1 0.06965800 0.47617600 0.66788300 1.0 Y Y6 1 0.21716400 0.09416200 0.33317200 1.0 Y Y7 1 0.35691700 0.38075700 0.33362800 1.0 Y Y8 1 0.07350000 0.81022700 0.33066800 1.0 Y Y9 1 0.50273300 0.33195100 0.66698200 1.0 Y Y10 1 0.35725700 0.04670600 0.66848700 1.0 Y Y11 1 0.21492800 0.76105000 0.66795800 1.0 Y Y12 1 0.64274300 0.95329400 0.33151300 1.0 Y Y13 1 0.49726700 0.66804900 0.33301800 1.0 Y Y14 1 0.64308300 0.61924300 0.66637200 1.0 Y Y15 1 0.78283600 0.90583800 0.66682800 1.0 Ti Ti16 1 0.15196200 0.36940300 0.16398700 1.0 Ti Ti17 1 0.85488300 0.79426800 0.16401800 1.0 Ti Ti18 1 0.00434700 0.08853700 0.16414800 1.0 Ti Ti19 1 0.99565300 0.91146300 0.83585200 1.0 Ti Ti20 1 0.29247700 0.48649500 0.83627000 1.0 Ti Ti21 1 0.14511700 0.20573200 0.83598200 1.0 Ti Ti22 1 0.84803800 0.63059700 0.83601300 1.0 Ti Ti23 1 0.70752300 0.51350500 0.16373000 1.0 Ti Ti24 1 0.57578700 0.22724500 0.16014900 1.0 Ti Ti25 1 0.43150800 0.94296800 0.15992200 1.0 Ti Ti26 1 0.28705000 0.65837100 0.15991600 1.0 Ti Ti27 1 0.56849200 0.05703200 0.84007800 1.0 Ti Ti28 1 0.42421300 0.77275500 0.83985100 1.0 Ti Ti29 1 0.71295000 0.34162900 0.84008400 1.0 S S30 1 0.81924200 0.43273000 0.58812600 1.0 S S31 1 0.03826600 0.28294300 0.40777500 1.0 S S32 1 0.89684900 0.99599000 0.40752500 1.0 S S33 1 0.18075800 0.56727000 0.41187400 1.0 S S34 1 0.10315100 0.00401000 0.59247500 1.0 S S35 1 0.24540600 0.28739000 0.59242500 1.0 S S36 1 0.96173400 0.71705700 0.59222500 1.0 S S37 1 0.61186800 0.42586000 0.40789300 1.0 S S38 1 0.32295100 0.85282200 0.41206200 1.0 S S39 1 0.46623300 0.13884800 0.41159000 1.0 S S40 1 0.67704900 0.14717800 0.58793800 1.0 S S41 1 0.38813200 0.57414000 0.59210700 1.0 S S42 1 0.53376700 0.86115200 0.58841000 1.0 S S43 1 0.75459400 0.71261000 0.40757500 1.0 O O44 1 0.79934600 0.50031700 0.79881700 1.0 O O45 1 0.91929800 0.43282900 0.18794900 1.0 O O46 1 0.79061600 0.56916900 0.99996400 1.0 O O47 1 0.93020500 0.86017100 0.99998100 1.0 O O48 1 0.20938400 0.43083100 0.00003600 1.0 O O49 1 0.05870600 0.21505300 0.20052200 1.0 O O50 1 0.20065400 0.49968300 0.20118300 1.0 O O51 1 0.91977300 0.93299500 0.18734600 1.0 O O52 1 0.79945500 0.99999600 0.79895900 1.0 O O53 1 0.94410800 0.28686100 0.79899300 1.0 O O54 1 0.06979500 0.13982900 0.00001900 1.0 O O55 1 0.08070200 0.56717100 0.81205100 1.0 O O56 1 0.23062700 0.35834900 0.79943300 1.0 O O57 1 0.94129400 0.78494700 0.79947800 1.0 O O58 1 0.20054500 0.00000400 0.20104100 1.0 O O59 1 0.08022700 0.06700500 0.81265400 1.0 O O60 1 0.34501800 0.28470700 0.20050200 1.0 O O61 1 0.05589200 0.71313900 0.20100700 1.0 O O62 1 0.51702300 0.42796200 0.79934000 1.0 O O63 1 0.48637600 0.07076800 0.20063500 1.0 O O64 1 0.62681200 0.35670100 0.20115400 1.0 O O65 1 0.34154500 0.78590800 0.20061300 1.0 O O66 1 0.35547000 0.71475200 0.99994700 1.0 O O67 1 0.50000000 0.00000000 0.00000000 1.0 O O68 1 0.37297300 0.14376400 0.79879300 1.0 O O69 1 0.22813100 0.85677900 0.79892800 1.0 O O70 1 0.64453000 0.28524800 0.00005300 1.0 O O71 1 0.37318800 0.64329900 0.79884600 1.0 O O72 1 0.65845500 0.21409200 0.79938700 1.0 O O73 1 0.48297700 0.57203800 0.20066000 1.0 O O74 1 0.77186900 0.14322100 0.20107200 1.0 O O75 1 0.62702700 0.85623600 0.20120700 1.0 O O76 1 0.51362400 0.92923200 0.79936500 1.0 O O77 1 0.65498200 0.71529300 0.79949800 1.0 O O78 1 0.76937300 0.64165100 0.20056700 1.0