# generated using pymatgen data_Li3Ti3Fe(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68655600 _cell_length_b 8.69115593 _cell_length_c 15.05167783 _cell_angle_alpha 106.47787433 _cell_angle_beta 90.09952752 _cell_angle_gamma 119.94936870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti3Fe(PO4)6 _chemical_formula_sum 'Li6 Ti6 Fe2 P12 O48' _cell_volume 930.01005690 _cell_formula_units_Z 2 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 0.22815200 0.87970100 0.41188300 1.0 Li Li1 1 0.45590500 0.17632000 0.17901600 1.0 Li Li2 1 0.91511600 0.85683800 0.05581300 1.0 Li Li3 1 0.59589500 0.87094900 0.80352600 1.0 Li Li4 1 0.10186400 0.30799900 0.64299500 1.0 Li Li5 1 0.40063500 0.84713200 0.56352600 1.0 Ti Ti6 1 0.07443100 0.28281300 0.06749700 1.0 Ti Ti7 1 0.18277000 0.72083100 0.17835100 1.0 Ti Ti8 1 0.58017500 0.28451900 0.56751900 1.0 Ti Ti9 1 0.67254400 0.70310400 0.68496300 1.0 Ti Ti10 1 0.31920100 0.28974600 0.32217800 1.0 Ti Ti11 1 0.93278600 0.71821500 0.92674700 1.0 Fe Fe12 1 0.44299800 0.72315500 0.42505900 1.0 Fe Fe13 1 0.82219500 0.28167000 0.82138900 1.0 P P14 1 0.81357500 0.78842900 0.23084000 1.0 P P15 1 0.08909500 0.50878700 0.37592900 1.0 P P16 1 0.76242200 0.78489600 0.48632000 1.0 P P17 1 0.73992500 0.21196300 0.01661400 1.0 P P18 1 0.31491400 0.78723600 0.73100200 1.0 P P19 1 0.41137900 0.49923100 0.12514700 1.0 P P20 1 0.58777200 0.49521700 0.87603700 1.0 P P21 1 0.69764400 0.21311400 0.26380000 1.0 P P22 1 0.26928800 0.79083500 0.98178000 1.0 P P23 1 0.23111300 0.20151300 0.52000200 1.0 P P24 1 0.91238600 0.49550200 0.62609400 1.0 P P25 1 0.19460800 0.20844300 0.76772900 1.0 O O26 1 0.80664500 0.19061400 0.18403700 1.0 O O27 1 0.19550000 0.57038800 0.00438100 1.0 O O28 1 0.26901200 0.36658700 0.10256100 1.0 O O29 1 0.88704800 0.43504100 0.23853500 1.0 O O30 1 0.25020800 0.81598100 0.06005300 1.0 O O31 1 0.92037400 0.96642000 0.13618400 1.0 O O32 1 0.35794300 0.63322600 0.14673700 1.0 O O33 1 0.01037000 0.80671400 0.21902100 1.0 O O34 1 0.82015000 0.33492400 0.45830000 1.0 O O35 1 0.33173500 0.20814100 0.68305100 1.0 O O36 1 0.14552900 0.65201800 0.28929500 1.0 O O37 1 0.71315600 0.58010500 0.49814900 1.0 O O38 1 0.58922900 0.79121300 0.48463100 1.0 O O39 1 0.48063800 0.02719800 0.11345900 1.0 O O40 1 0.78561800 0.38061300 0.59485400 1.0 O O41 1 0.36863900 0.42068100 0.75393800 1.0 O O42 1 0.02491600 0.98012800 0.39453900 1.0 O O43 1 0.90090700 0.19773000 0.02609600 1.0 O O44 1 0.72820700 0.78843500 0.57064100 1.0 O O45 1 0.44043100 0.98192000 0.63556000 1.0 O O46 1 0.34750900 0.33263300 0.21071000 1.0 O O47 1 0.82293900 0.59729100 0.66326200 1.0 O O48 1 0.50620100 0.80640300 0.72740700 1.0 O O49 1 0.68368400 0.65890800 0.04440500 1.0 O O50 1 0.32092800 0.33361800 0.96189400 1.0 O O51 1 0.49069700 0.18493900 0.27598400 1.0 O O52 1 0.16890200 0.38668500 0.35613800 1.0 O O53 1 0.64247000 0.66680300 0.79687000 1.0 O O54 1 0.57515800 0.02862500 0.36020200 1.0 O O55 1 0.27414800 0.18898400 0.43621700 1.0 O O56 1 0.09977400 0.80107200 0.97756800 1.0 O O57 1 0.97391300 0.00662600 0.61421100 1.0 O O58 1 0.62685300 0.56885500 0.25062200 1.0 O O59 1 0.22391300 0.65494800 0.39776100 1.0 O O60 1 0.52319100 0.96667200 0.88505500 1.0 O O61 1 0.39603700 0.19746800 0.52976100 1.0 O O62 1 0.27480600 0.40611400 0.50795800 1.0 O O63 1 0.86867000 0.32831200 0.70096200 1.0 O O64 1 0.69701500 0.80295800 0.31192000 1.0 O O65 1 0.18413800 0.68723000 0.54042800 1.0 O O66 1 0.00826200 0.19296000 0.76885400 1.0 O O67 1 0.65254600 0.37528000 0.84648700 1.0 O O68 1 0.07620000 0.01621900 0.86060600 1.0 O O69 1 0.76826000 0.19575800 0.93647000 1.0 O O70 1 0.14814600 0.58629000 0.73824600 1.0 O O71 1 0.73250600 0.62245700 0.90044200 1.0 O O72 1 0.80051200 0.42349700 0.00270200 1.0 O O73 1 0.18547800 0.79276100 0.81498400 1.0