# generated using pymatgen data_LiTi(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61982700 _cell_length_b 7.50601100 _cell_length_c 15.69616432 _cell_angle_alpha 67.14289434 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi(PO3)4 _chemical_formula_sum 'Li4 Ti4 P16 O48' _cell_volume 935.80536349 _cell_formula_units_Z 4 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 0.58308600 0.36528100 0.57324600 1.0 Li Li1 1 0.08308600 0.63471900 0.92675400 1.0 Li Li2 1 0.91691400 0.36528100 0.07324600 1.0 Li Li3 1 0.41691400 0.63471900 0.42675400 1.0 Ti Ti4 1 0.65839000 0.81166300 0.14764100 1.0 Ti Ti5 1 0.84161000 0.81166300 0.64764100 1.0 Ti Ti6 1 0.15839000 0.18833700 0.35235900 1.0 Ti Ti7 1 0.34161000 0.18833700 0.85235900 1.0 P P8 1 0.27660700 0.86769500 0.06902900 1.0 P P9 1 0.04793800 0.14517500 0.71646100 1.0 P P10 1 0.23195500 0.26957100 0.54513700 1.0 P P11 1 0.03183600 0.60548000 0.19053000 1.0 P P12 1 0.73195500 0.73042900 0.95486300 1.0 P P13 1 0.54793800 0.85482500 0.78353900 1.0 P P14 1 0.53183600 0.39452000 0.30947000 1.0 P P15 1 0.22339300 0.86769500 0.56902900 1.0 P P16 1 0.77660700 0.13230500 0.43097100 1.0 P P17 1 0.46816400 0.60548000 0.69053000 1.0 P P18 1 0.45206200 0.14517500 0.21646100 1.0 P P19 1 0.26804500 0.26957100 0.04513700 1.0 P P20 1 0.96816400 0.39452000 0.80947000 1.0 P P21 1 0.76804500 0.73042900 0.45486300 1.0 P P22 1 0.95206200 0.85482500 0.28353900 1.0 P P23 1 0.72339300 0.13230500 0.93097100 1.0 O O24 1 0.37282200 0.39405500 0.53447100 1.0 O O25 1 0.12459300 0.29756300 0.62254100 1.0 O O26 1 0.06804600 0.70722800 0.26205500 1.0 O O27 1 0.28705500 0.93278100 0.96518600 1.0 O O28 1 0.16481900 0.07055600 0.79343300 1.0 O O29 1 0.78491300 0.95331700 0.90585300 1.0 O O30 1 0.41109800 0.77058700 0.12868000 1.0 O O31 1 0.45464700 0.00046400 0.80323100 1.0 O O32 1 0.12363900 0.73690800 0.09750400 1.0 O O33 1 0.60651000 0.59028500 0.27257100 1.0 O O34 1 0.95464700 0.99953600 0.69676900 1.0 O O35 1 0.86383100 0.61884100 0.16277200 1.0 O O36 1 0.63858400 0.70171100 0.03985600 1.0 O O37 1 0.28491300 0.04668300 0.59414700 1.0 O O38 1 0.66481900 0.92944400 0.70656700 1.0 O O39 1 0.78705500 0.06721900 0.53481400 1.0 O O40 1 0.13858400 0.29828900 0.46014400 1.0 O O41 1 0.36383100 0.38115900 0.33722800 1.0 O O42 1 0.62459300 0.70243700 0.87745900 1.0 O O43 1 0.10651000 0.40971500 0.22742900 1.0 O O44 1 0.87282200 0.60594500 0.96552900 1.0 O O45 1 0.62363900 0.26309200 0.40249600 1.0 O O46 1 0.43195400 0.70722800 0.76205500 1.0 O O47 1 0.91109800 0.22941300 0.37132000 1.0 O O48 1 0.08890200 0.77058700 0.62868000 1.0 O O49 1 0.56804600 0.29277200 0.23794500 1.0 O O50 1 0.37636100 0.73690800 0.59750400 1.0 O O51 1 0.12717800 0.39405500 0.03447100 1.0 O O52 1 0.89349000 0.59028500 0.77257100 1.0 O O53 1 0.37540700 0.29756300 0.12254100 1.0 O O54 1 0.63616900 0.61884100 0.66277200 1.0 O O55 1 0.86141600 0.70171100 0.53985600 1.0 O O56 1 0.21294500 0.93278100 0.46518600 1.0 O O57 1 0.33518100 0.07055600 0.29343300 1.0 O O58 1 0.71508700 0.95331700 0.40585300 1.0 O O59 1 0.36141600 0.29828900 0.96014400 1.0 O O60 1 0.13616900 0.38115900 0.83722800 1.0 O O61 1 0.04535300 0.00046400 0.30323100 1.0 O O62 1 0.39349000 0.40971500 0.72742900 1.0 O O63 1 0.87636100 0.26309200 0.90249600 1.0 O O64 1 0.54535300 0.99953600 0.19676900 1.0 O O65 1 0.58890200 0.22941300 0.87132000 1.0 O O66 1 0.21508700 0.04668300 0.09414700 1.0 O O67 1 0.83518100 0.92944400 0.20656700 1.0 O O68 1 0.71294500 0.06721900 0.03481400 1.0 O O69 1 0.93195400 0.29277200 0.73794500 1.0 O O70 1 0.87540700 0.70243700 0.37745900 1.0 O O71 1 0.62717800 0.60594500 0.46552900 1.0