# generated using pymatgen data_Li3Ti3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08045100 _cell_length_b 7.72580100 _cell_length_c 10.25670254 _cell_angle_alpha 85.16926668 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti3(PO4)4 _chemical_formula_sum 'Li6 Ti6 P8 O32' _cell_volume 638.03050769 _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 0.63049400 0.15756600 0.16858400 1.0 Li Li1 1 0.13049400 0.84243400 0.83141600 1.0 Li Li2 1 0.85784600 0.63858800 0.42135100 1.0 Li Li3 1 0.86842300 0.64987500 0.92216400 1.0 Li Li4 1 0.35784600 0.36141200 0.57864900 1.0 Li Li5 1 0.36842300 0.35012500 0.07783600 1.0 Ti Ti6 1 0.00476500 0.25856700 0.62962800 1.0 Ti Ti7 1 0.99690100 0.26218000 0.12303500 1.0 Ti Ti8 1 0.64908200 0.14908900 0.67500600 1.0 Ti Ti9 1 0.14908200 0.85091100 0.32499400 1.0 Ti Ti10 1 0.50476500 0.74143300 0.37037200 1.0 Ti Ti11 1 0.49690100 0.73782000 0.87696500 1.0 P P12 1 0.80248000 0.04658500 0.38866500 1.0 P P13 1 0.81251700 0.04641800 0.90207900 1.0 P P14 1 0.30248000 0.95341500 0.61133500 1.0 P P15 1 0.31251700 0.95358200 0.09792100 1.0 P P16 1 0.69642300 0.55221600 0.64512400 1.0 P P17 1 0.69031700 0.54713400 0.14281600 1.0 P P18 1 0.19031700 0.45286600 0.85718400 1.0 P P19 1 0.19642300 0.44778400 0.35487600 1.0 O O20 1 0.85756600 0.19137700 0.78794300 1.0 O O21 1 0.86109800 0.19108200 0.28655000 1.0 O O22 1 0.80332300 0.12416700 0.52726000 1.0 O O23 1 0.42563100 0.10672100 0.60061400 1.0 O O24 1 0.80727200 0.13356900 0.03109500 1.0 O O25 1 0.42653800 0.10622300 0.09524800 1.0 O O26 1 0.12820000 0.01381400 0.64758700 1.0 O O27 1 0.63323600 0.99712200 0.84820500 1.0 O O28 1 0.13323600 0.00287800 0.15179500 1.0 O O29 1 0.62820000 0.98618600 0.35241300 1.0 O O30 1 0.92563100 0.89327900 0.39938600 1.0 O O31 1 0.30332300 0.87583300 0.47274000 1.0 O O32 1 0.92653800 0.89377700 0.90475200 1.0 O O33 1 0.36109800 0.80891800 0.71345000 1.0 O O34 1 0.30727200 0.86643100 0.96890500 1.0 O O35 1 0.35756600 0.80862300 0.21205700 1.0 O O36 1 0.63853700 0.68738400 0.53535500 1.0 O O37 1 0.69083700 0.63106300 0.77797200 1.0 O O38 1 0.63638700 0.69031900 0.03242500 1.0 O O39 1 0.07255800 0.60395600 0.84715900 1.0 O O40 1 0.69272700 0.63527000 0.27546700 1.0 O O41 1 0.07704800 0.60875500 0.34871100 1.0 O O42 1 0.37079500 0.50996600 0.39561100 1.0 O O43 1 0.87079500 0.49003400 0.60438900 1.0 O O44 1 0.36900100 0.50721000 0.89599200 1.0 O O45 1 0.86900100 0.49279000 0.10400800 1.0 O O46 1 0.57704800 0.39124500 0.65128900 1.0 O O47 1 0.19272700 0.36473000 0.72453300 1.0 O O48 1 0.57255800 0.39604400 0.15284100 1.0 O O49 1 0.19083700 0.36893700 0.22202800 1.0 O O50 1 0.13853700 0.31261600 0.46464500 1.0 O O51 1 0.13638700 0.30968100 0.96757500 1.0