# generated using pymatgen data_LiTi2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36769000 _cell_length_b 8.96536648 _cell_length_c 14.49782608 _cell_angle_alpha 105.46501568 _cell_angle_beta 90.27387246 _cell_angle_gamma 117.65073155 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi2(PO4)3 _chemical_formula_sum 'Li4 Ti8 P12 O48' _cell_volume 917.94033649 _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 0.70130000 0.38722800 0.37170400 1.0 Li Li1 1 0.57667700 0.81189500 0.16038100 1.0 Li Li2 1 0.42332300 0.18810500 0.83961900 1.0 Li Li3 1 0.29870000 0.61277200 0.62829600 1.0 Ti Ti4 1 0.07772100 0.29130900 0.07167200 1.0 Ti Ti5 1 0.17621200 0.70956000 0.17143300 1.0 Ti Ti6 1 0.57237000 0.28569500 0.57312000 1.0 Ti Ti7 1 0.31335600 0.28604100 0.32618500 1.0 Ti Ti8 1 0.68664400 0.71395900 0.67381500 1.0 Ti Ti9 1 0.82378800 0.29044000 0.82856700 1.0 Ti Ti10 1 0.42763000 0.71430500 0.42688000 1.0 Ti Ti11 1 0.92227900 0.70869100 0.92832800 1.0 P P12 1 0.79862600 0.78450800 0.23273000 1.0 P P13 1 0.30457800 0.78518600 0.73132600 1.0 P P14 1 0.09085400 0.49726000 0.37423800 1.0 P P15 1 0.41601300 0.50340700 0.12425300 1.0 P P16 1 0.26683200 0.78652300 0.98153500 1.0 P P17 1 0.76197600 0.78087300 0.48415500 1.0 P P18 1 0.23802400 0.21912700 0.51584500 1.0 P P19 1 0.73316800 0.21347700 0.01846500 1.0 P P20 1 0.58398700 0.49659300 0.87574700 1.0 P P21 1 0.90914600 0.50274000 0.62576200 1.0 P P22 1 0.20137400 0.21549200 0.76727000 1.0 P P23 1 0.69542200 0.21481400 0.26867400 1.0 O O24 1 0.92298600 0.70499600 0.24487800 1.0 O O25 1 0.14098900 0.73670700 0.08061600 1.0 O O26 1 0.89158000 0.38274500 0.26388200 1.0 O O27 1 0.82118100 0.38611500 0.43946700 1.0 O O28 1 0.68980600 0.79757700 0.31278300 1.0 O O29 1 0.18472800 0.78973200 0.81345800 1.0 O O30 1 0.98746100 0.01241200 0.13309000 1.0 O O31 1 0.48466200 0.01127800 0.63277600 1.0 O O32 1 0.22200100 0.66089600 0.26649300 1.0 O O33 1 0.41586100 0.68345300 0.11318600 1.0 O O34 1 0.65615200 0.83443000 0.44463300 1.0 O O35 1 0.18063400 0.86011600 0.93591300 1.0 O O36 1 0.77805600 0.37458500 0.60189300 1.0 O O37 1 0.27576000 0.37984400 0.10154100 1.0 O O38 1 0.09709400 0.32061700 0.38918200 1.0 O O39 1 0.44315300 0.72072300 0.73758800 1.0 O O40 1 0.62382100 0.72818800 0.58404900 1.0 O O41 1 0.29501100 0.34206400 0.22894500 1.0 O O42 1 0.71047100 0.58126100 0.49756300 1.0 O O43 1 0.20597900 0.58394000 0.99594500 1.0 O O44 1 0.68455000 0.61788200 0.05230700 1.0 O O45 1 0.40295700 0.37242600 0.76235000 1.0 O O46 1 0.04235900 0.97738000 0.41428300 1.0 O O47 1 0.54906000 0.98193300 0.91158200 1.0 O O48 1 0.45094000 0.01806700 0.08841800 1.0 O O49 1 0.95764100 0.02262000 0.58571700 1.0 O O50 1 0.59704300 0.62757400 0.23765000 1.0 O O51 1 0.31545000 0.38211800 0.94769300 1.0 O O52 1 0.79402100 0.41606000 0.00405500 1.0 O O53 1 0.28952900 0.41873900 0.50243700 1.0 O O54 1 0.70498900 0.65793600 0.77105500 1.0 O O55 1 0.37617900 0.27181200 0.41595100 1.0 O O56 1 0.55684700 0.27927700 0.26241200 1.0 O O57 1 0.90290600 0.67938300 0.61081800 1.0 O O58 1 0.22194400 0.62541500 0.39810700 1.0 O O59 1 0.72424000 0.62015600 0.89845900 1.0 O O60 1 0.34384800 0.16557000 0.55536700 1.0 O O61 1 0.81936600 0.13988400 0.06408700 1.0 O O62 1 0.58413900 0.31654700 0.88681400 1.0 O O63 1 0.77799900 0.33910400 0.73350700 1.0 O O64 1 0.51533800 0.98872200 0.36722400 1.0 O O65 1 0.01253900 0.98758800 0.86691000 1.0 O O66 1 0.31019400 0.20242300 0.68721700 1.0 O O67 1 0.81527200 0.21026800 0.18654200 1.0 O O68 1 0.17881900 0.61388500 0.56053300 1.0 O O69 1 0.10842000 0.61725500 0.73611800 1.0 O O70 1 0.85901100 0.26329300 0.91938400 1.0 O O71 1 0.07701400 0.29500400 0.75512200 1.0