# generated using pymatgen data_Na5Ti7Al(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60919900 _cell_length_b 8.85330277 _cell_length_c 14.89897497 _cell_angle_alpha 106.17903815 _cell_angle_beta 90.19286200 _cell_angle_gamma 119.02423336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ti7Al(PO4)12 _chemical_formula_sum 'Na5 Ti7 Al1 P12 O48' _cell_volume 940.58694607 _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 Na Na0 1 0.00434300 0.00049700 0.00032600 1.0 Na Na1 1 0.75004500 0.99952300 0.75014600 1.0 Na Na2 1 0.50058400 0.00017900 0.49978300 1.0 Na Na3 1 0.24350300 0.99742500 0.25238100 1.0 Na Na4 1 0.69981900 0.14888500 0.05119200 1.0 Ti Ti5 1 0.92720800 0.71203700 0.92769400 1.0 Ti Ti6 1 0.82054700 0.28784400 0.82310400 1.0 Ti Ti7 1 0.42903300 0.71171100 0.42690100 1.0 Ti Ti8 1 0.32290500 0.29135500 0.32140000 1.0 Ti Ti9 1 0.67983700 0.71147200 0.67654300 1.0 Ti Ti10 1 0.57262000 0.28978500 0.57239900 1.0 Ti Ti11 1 0.16604100 0.69886300 0.18010500 1.0 Al Al12 1 0.07920100 0.29426000 0.07300800 1.0 P P13 1 0.48160400 0.21314100 0.76846300 1.0 P P14 1 0.33771500 0.50000100 0.62504700 1.0 P P15 1 0.54910300 0.78047400 0.98243800 1.0 P P16 1 0.94513300 0.21374700 0.51826500 1.0 P P17 1 0.16894300 0.50322000 0.87467500 1.0 P P18 1 0.98162800 0.21025600 0.26636100 1.0 P P19 1 0.01880500 0.78721600 0.73136100 1.0 P P20 1 0.83816800 0.49477000 0.12424100 1.0 P P21 1 0.05651800 0.78738200 0.48112200 1.0 P P22 1 0.43433700 0.21389200 0.01907300 1.0 P P23 1 0.66084500 0.49939300 0.37520400 1.0 P P24 1 0.52586300 0.79321800 0.22941700 1.0 O O25 1 0.96960800 0.58281800 0.74791200 1.0 O O26 1 0.55954800 0.21276800 0.93395600 1.0 O O27 1 0.21725700 0.01534700 0.85961800 1.0 O O28 1 0.00479900 0.35886200 0.86169100 1.0 O O29 1 0.64275200 0.20425500 0.78078100 1.0 O O30 1 0.53474700 0.21272000 0.68297000 1.0 O O31 1 0.40034800 0.65807200 0.53817500 1.0 O O32 1 0.06918700 0.34256400 0.71208800 1.0 O O33 1 0.67098500 0.98494000 0.89081100 1.0 O O34 1 0.13194900 0.41678300 0.50239900 1.0 O O35 1 0.75022900 0.20450700 0.53076800 1.0 O O36 1 0.11340300 0.63833900 0.89142900 1.0 O O37 1 0.38626100 0.36093000 0.60896300 1.0 O O38 1 0.47247800 0.58675700 0.24689800 1.0 O O39 1 0.74839900 0.79428200 0.96913900 1.0 O O40 1 0.36406300 0.58057800 0.99871800 1.0 O O41 1 0.82898600 0.01493100 0.60954600 1.0 O O42 1 0.06274800 0.21309300 0.43281900 1.0 O O43 1 0.43448700 0.66013900 0.78746300 1.0 O O44 1 0.71773300 0.01550000 0.35905800 1.0 O O45 1 0.09840000 0.34217300 0.96378900 1.0 O O46 1 0.50739300 0.36129400 0.35861500 1.0 O O47 1 0.14231800 0.20498000 0.28060700 1.0 O O48 1 0.03552600 0.21361800 0.18142800 1.0 O O49 1 0.96520800 0.78705600 0.81714100 1.0 O O50 1 0.85762200 0.79568500 0.71909200 1.0 O O51 1 0.49281200 0.63855000 0.64132200 1.0 O O52 1 0.90035600 0.65692500 0.03817300 1.0 O O53 1 0.28309100 0.98503800 0.64044000 1.0 O O54 1 0.57073100 0.34287900 0.21132100 1.0 O O55 1 0.93796800 0.78700800 0.56689000 1.0 O O56 1 0.17116200 0.98529000 0.39018200 1.0 O O57 1 0.63156300 0.41320600 0.00289500 1.0 O O58 1 0.24406300 0.20692400 0.03142800 1.0 O O59 1 0.53006900 0.41666100 0.75239700 1.0 O O60 1 0.61408400 0.63924100 0.39109700 1.0 O O61 1 0.88456600 0.35644100 0.10757400 1.0 O O62 1 0.24983500 0.79549900 0.46945300 1.0 O O63 1 0.86819800 0.58352800 0.49772900 1.0 O O64 1 0.32964700 0.01704100 0.10892100 1.0 O O65 1 0.93100000 0.65791900 0.28832500 1.0 O O66 1 0.60012300 0.34240100 0.46171600 1.0 O O67 1 0.46616700 0.78736700 0.31674700 1.0 O O68 1 0.36465700 0.80325200 0.21610000 1.0 O O69 1 0.99259500 0.63646800 0.14094900 1.0 O O70 1 0.78751600 0.99450500 0.13748200 1.0 O O71 1 0.44297400 0.79276400 0.06616800 1.0 O O72 1 0.03004000 0.41555700 0.25216300 1.0