# generated using pymatgen data_Li8TiFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67242200 _cell_length_b 8.78938242 _cell_length_c 12.22126899 _cell_angle_alpha 90.04147969 _cell_angle_beta 90.05067947 _cell_angle_gamma 90.01762018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8TiFe7(PO4)12 _chemical_formula_sum 'Li8 Ti1 Fe7 P12 O48' _cell_volume 931.56842845 _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 0.21670600 0.72267500 0.18219400 1.0 Li Li1 1 0.21696100 0.77711600 0.81758900 1.0 Li Li2 1 0.28334900 0.22279600 0.31851500 1.0 Li Li3 1 0.28303200 0.27757600 0.68227300 1.0 Li Li4 1 0.71672600 0.72366200 0.31727400 1.0 Li Li5 1 0.71583200 0.77981700 0.68165800 1.0 Li Li6 1 0.78328600 0.22243300 0.18259200 1.0 Li Li7 1 0.78367000 0.27772900 0.81924000 1.0 Ti Ti8 1 0.75321100 0.46003400 0.61091200 1.0 Fe Fe9 1 0.24835800 0.95955400 0.61299100 1.0 Fe Fe10 1 0.24902900 0.54106200 0.38767100 1.0 Fe Fe11 1 0.25113100 0.04070800 0.11285500 1.0 Fe Fe12 1 0.25107700 0.45948100 0.88707600 1.0 Fe Fe13 1 0.74914400 0.54080100 0.11228100 1.0 Fe Fe14 1 0.74878800 0.95971500 0.88760000 1.0 Fe Fe15 1 0.75147500 0.03919900 0.38767500 1.0 P P16 1 0.03982300 0.24914800 0.49889500 1.0 P P17 1 0.46077700 0.74987100 0.00004000 1.0 P P18 1 0.53943100 0.25017700 0.00034300 1.0 P P19 1 0.96053400 0.74958700 0.49951300 1.0 P P20 1 0.10569100 0.39281600 0.14688200 1.0 P P21 1 0.10560000 0.10732100 0.85331700 1.0 P P22 1 0.39457600 0.60611200 0.64703800 1.0 P P23 1 0.39427400 0.89269500 0.35332400 1.0 P P24 1 0.60516400 0.10745700 0.64620400 1.0 P P25 1 0.60508100 0.39261400 0.35344800 1.0 P P26 1 0.89470400 0.60737200 0.85212500 1.0 P P27 1 0.89443100 0.89267900 0.14689400 1.0 O O28 1 0.05600800 0.64184200 0.42908200 1.0 O O29 1 0.05516800 0.85600300 0.57240400 1.0 O O30 1 0.07311700 0.89541500 0.15583200 1.0 O O31 1 0.07292400 0.60417100 0.84331300 1.0 O O32 1 0.14487300 0.16459100 0.58147900 1.0 O O33 1 0.14657300 0.33819800 0.42071000 1.0 O O34 1 0.15604500 0.43443500 0.03072700 1.0 O O35 1 0.15569800 0.06606900 0.96953000 1.0 O O36 1 0.16223400 0.23238000 0.17966600 1.0 O O37 1 0.16176500 0.26792500 0.82060300 1.0 O O38 1 0.17381800 0.51403900 0.22589300 1.0 O O39 1 0.17399300 0.98596500 0.77433400 1.0 O O40 1 0.32627100 0.01393600 0.27405100 1.0 O O41 1 0.32687800 0.48544200 0.72603500 1.0 O O42 1 0.34098800 0.76761800 0.68016300 1.0 O O43 1 0.33785300 0.73234000 0.32057200 1.0 O O44 1 0.34506900 0.56582100 0.53057500 1.0 O O45 1 0.34387500 0.93507700 0.46962300 1.0 O O46 1 0.35253200 0.83730300 0.07955200 1.0 O O47 1 0.35272200 0.66249600 0.92038100 1.0 O O48 1 0.42721500 0.10778400 0.65631000 1.0 O O49 1 0.42750900 0.39528600 0.34669000 1.0 O O50 1 0.44357400 0.14264600 0.07111900 1.0 O O51 1 0.44385200 0.35750900 0.92890300 1.0 O O52 1 0.55639500 0.64276400 0.07148900 1.0 O O53 1 0.55660000 0.85702100 0.92874900 1.0 O O54 1 0.57476700 0.60038200 0.65467200 1.0 O O55 1 0.57295500 0.89578600 0.34378200 1.0 O O56 1 0.64691300 0.33774600 0.08036500 1.0 O O57 1 0.64744100 0.16323900 0.92034600 1.0 O O58 1 0.65557600 0.06610900 0.53045200 1.0 O O59 1 0.65839900 0.43103600 0.47324700 1.0 O O60 1 0.66286500 0.23275400 0.32182800 1.0 O O61 1 0.66466700 0.27077000 0.67666100 1.0 O O62 1 0.67551300 0.51473000 0.27744400 1.0 O O63 1 0.67496300 0.98912100 0.72607300 1.0 O O64 1 0.82618800 0.01370800 0.22609200 1.0 O O65 1 0.82651000 0.48706700 0.77040100 1.0 O O66 1 0.83796100 0.73200000 0.17914300 1.0 O O67 1 0.83718800 0.76751900 0.81933400 1.0 O O68 1 0.84210500 0.56358600 0.96728400 1.0 O O69 1 0.84409200 0.93403800 0.03060800 1.0 O O70 1 0.85121100 0.65728300 0.57826100 1.0 O O71 1 0.85070500 0.83602400 0.42127800 1.0 O O72 1 0.92679200 0.10488500 0.84431500 1.0 O O73 1 0.92681700 0.39545200 0.15527500 1.0 O O74 1 0.94379400 0.14181900 0.42891300 1.0 O O75 1 0.93717100 0.35866300 0.56802600 1.0