# generated using pymatgen data_Li3V3P8O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74206100 _cell_length_b 9.77357996 _cell_length_c 14.25632094 _cell_angle_alpha 89.87196768 _cell_angle_beta 89.89752817 _cell_angle_gamma 60.18572936 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3V3P8O29 _chemical_formula_sum 'Li6 V6 P16 O58' _cell_volume 1177.74468047 _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 0.67725700 0.09158800 0.44515900 1.0 Li Li1 1 0.23429400 0.67200800 0.44384800 1.0 Li Li2 1 0.90699500 0.32668500 0.05621400 1.0 Li Li3 1 0.76840200 0.90775900 0.05509600 1.0 Li Li4 1 0.04932500 0.97165900 0.99478700 1.0 Li Li5 1 0.01980100 0.02821600 0.50576900 1.0 V V6 1 0.56392500 0.43449000 0.75239900 1.0 V V7 1 0.43596900 0.56603700 0.24407500 1.0 V V8 1 0.00219400 0.43330200 0.25486400 1.0 V V9 1 0.00196500 0.56270200 0.74832400 1.0 V V10 1 0.43021800 0.00649900 0.75157100 1.0 V V11 1 0.56011200 0.99982600 0.25155800 1.0 P P12 1 0.21933600 0.08630400 0.15775400 1.0 P P13 1 0.08422000 0.22098500 0.66041000 1.0 P P14 1 0.68798600 0.08962000 0.66015600 1.0 P P15 1 0.33194200 0.33453100 0.86921400 1.0 P P16 1 0.33572000 0.33692400 0.36780800 1.0 P P17 1 0.69058800 0.22319300 0.15854700 1.0 P P18 1 0.77334100 0.31000100 0.34123700 1.0 P P19 1 0.08314600 0.69049400 0.15878700 1.0 P P20 1 0.91223600 0.31258700 0.84237500 1.0 P P21 1 0.22594300 0.68676000 0.65735000 1.0 P P22 1 0.30635400 0.77809500 0.83884600 1.0 P P23 1 0.66469700 0.66770400 0.63526500 1.0 P P24 1 0.67305000 0.66355700 0.13174800 1.0 P P25 1 0.30379700 0.91439500 0.34111700 1.0 P P26 1 0.91480100 0.77610200 0.34220500 1.0 P P27 1 0.77689200 0.91025800 0.83940400 1.0 O O28 1 0.21448400 0.99002100 0.42754600 1.0 O O29 1 0.26023400 0.08736800 0.66906700 1.0 O O30 1 0.98330500 0.23269300 0.93280600 1.0 O O31 1 0.07979500 0.26128200 0.16665400 1.0 O O32 1 0.37643400 0.08603700 0.17196200 1.0 O O33 1 0.33606500 0.18347300 0.82494000 1.0 O O34 1 0.53078900 0.08810100 0.67483800 1.0 O O35 1 0.78737000 0.98140500 0.92943800 1.0 O O36 1 0.65796800 0.08280200 0.16258500 1.0 O O37 1 0.18770200 0.33487000 0.32225800 1.0 O O38 1 0.08098900 0.38072900 0.67178500 1.0 O O39 1 0.48717300 0.18747400 0.33005400 1.0 O O40 1 0.33084900 0.33381600 0.97308400 1.0 O O41 1 0.33037700 0.34486000 0.47190900 1.0 O O42 1 0.47907800 0.33551400 0.82445300 1.0 O O43 1 0.08226800 0.53372600 0.17346300 1.0 O O44 1 0.18418200 0.47668900 0.82183600 1.0 O O45 1 0.65330300 0.26188200 0.67053900 1.0 O O46 1 0.79447500 0.20257900 0.25060900 1.0 O O47 1 0.78353600 0.21595100 0.42588100 1.0 O O48 1 0.78220400 0.22091400 0.07461300 1.0 O O49 1 0.53097500 0.38058400 0.17338600 1.0 O O50 1 0.33005200 0.48795900 0.32438500 1.0 O O51 1 0.73899400 0.34709900 0.83177800 1.0 O O52 1 0.38256300 0.53048000 0.67371000 1.0 O O53 1 0.08720400 0.65195300 0.66845400 1.0 O O54 1 0.00534800 0.19959600 0.75584800 1.0 O O55 1 0.00431700 0.20382900 0.57729900 1.0 O O56 1 0.00620900 0.77661600 0.42539700 1.0 O O57 1 0.91224400 0.34532300 0.33387300 1.0 O O58 1 0.61602300 0.46642400 0.32605600 1.0 O O59 1 0.25754300 0.65512700 0.16637500 1.0 O O60 1 0.66226200 0.52193600 0.67787700 1.0 O O61 1 0.46176300 0.61775900 0.82837600 1.0 O O62 1 0.20875700 0.79700100 0.92227200 1.0 O O63 1 0.21642400 0.76698900 0.56688400 1.0 O O64 1 0.20566700 0.79979500 0.74393600 1.0 O O65 1 0.34260500 0.73892000 0.33349600 1.0 O O66 1 0.81722600 0.51228300 0.17524300 1.0 O O67 1 0.91280700 0.46911400 0.82597200 1.0 O O68 1 0.52235700 0.66492900 0.17714300 1.0 O O69 1 0.67610300 0.65425600 0.02756500 1.0 O O70 1 0.65946700 0.67105800 0.52870100 1.0 O O71 1 0.51851200 0.81751500 0.67344400 1.0 O O72 1 0.91195500 0.61898400 0.32647300 1.0 O O73 1 0.81692200 0.66217000 0.67362600 1.0 O O74 1 0.34973800 0.91088700 0.82973600 1.0 O O75 1 0.19989500 0.99969400 0.24983800 1.0 O O76 1 0.19963400 0.01188500 0.07256400 1.0 O O77 1 0.46360000 0.91552700 0.32609800 1.0 O O78 1 0.67447000 0.81197500 0.17015300 1.0 O O79 1 0.61769200 0.91321300 0.82525700 1.0 O O80 1 0.91341300 0.73784500 0.82864200 1.0 O O81 1 0.99955400 0.78474700 0.07425900 1.0 O O82 1 0.99714400 0.79756900 0.24937900 1.0 O O83 1 0.74318900 0.91726700 0.34007000 1.0 O O84 1 0.76963000 0.01738800 0.57037400 1.0 O O85 1 0.79769900 0.00005300 0.74985700 1.0