# generated using pymatgen data_Li3V2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.30315500 _cell_length_b 9.31111300 _cell_length_c 10.46556195 _cell_angle_alpha 85.02554763 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3V2(PO4)3 _chemical_formula_sum 'Li12 V8 P12 O48' _cell_volume 1097.29893482 _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 0.05943100 0.09472600 0.15928800 1.0 Li Li1 1 0.05943100 0.90527400 0.84071200 1.0 Li Li2 1 0.40045600 0.56921700 0.38067900 1.0 Li Li3 1 0.40045600 0.43078300 0.61932100 1.0 Li Li4 1 0.37193300 0.13883300 0.22537600 1.0 Li Li5 1 0.37193300 0.86116700 0.77462400 1.0 Li Li6 1 0.61851000 0.38245700 0.19659100 1.0 Li Li7 1 0.61851000 0.61754300 0.80340900 1.0 Li Li8 1 0.77206000 0.16669500 0.55371000 1.0 Li Li9 1 0.77206000 0.83330500 0.44629000 1.0 Li Li10 1 0.01750700 0.18265900 0.53737600 1.0 Li Li11 1 0.01750700 0.81734100 0.46262400 1.0 V V12 1 0.26609800 0.16749300 0.75055500 1.0 V V13 1 0.26609800 0.83250700 0.24944500 1.0 V V14 1 0.23094200 0.48061600 0.16813600 1.0 V V15 1 0.23094200 0.51938400 0.83186400 1.0 V V16 1 0.74964700 0.29588800 0.76948800 1.0 V V17 1 0.74964700 0.70411200 0.23051200 1.0 V V18 1 0.79534200 0.87359500 0.71823900 1.0 V V19 1 0.79534200 0.12640500 0.28176100 1.0 P P20 1 0.15462700 0.50000000 0.50000000 1.0 P P21 1 0.82865000 0.43193800 0.40839200 1.0 P P22 1 0.82865000 0.56806200 0.59160800 1.0 P P23 1 0.58311300 0.81334400 0.96763600 1.0 P P24 1 0.58311300 0.18665600 0.03236400 1.0 P P25 1 0.46370000 0.00000000 0.00000000 1.0 P P26 1 0.58021300 0.00000000 0.50000000 1.0 P P27 1 0.41936600 0.82499900 0.50653300 1.0 P P28 1 0.41936600 0.17500100 0.49346700 1.0 P P29 1 0.07589600 0.66693600 0.03764100 1.0 P P30 1 0.07589600 0.33306400 0.96235900 1.0 P P31 1 0.81046000 0.50000000 0.00000000 1.0 O O32 1 0.06036900 0.53816800 0.14617300 1.0 O O33 1 0.06036900 0.46183200 0.85382700 1.0 O O34 1 0.16283100 0.92199100 0.11985500 1.0 O O35 1 0.16283100 0.07800900 0.88014500 1.0 O O36 1 0.23421600 0.50770200 0.61823600 1.0 O O37 1 0.23421600 0.49229800 0.38176400 1.0 O O38 1 0.09796000 0.21172500 0.84245400 1.0 O O39 1 0.09796000 0.78827500 0.15754600 1.0 O O40 1 0.17632600 0.82712700 0.37826000 1.0 O O41 1 0.17632600 0.17287300 0.62174000 1.0 O O42 1 0.20039600 0.83870200 0.76313100 1.0 O O43 1 0.20039600 0.16129800 0.23686900 1.0 O O44 1 0.31771200 0.66131900 0.21615400 1.0 O O45 1 0.31771200 0.33868100 0.78384600 1.0 O O46 1 0.20952300 0.63629800 0.99237900 1.0 O O47 1 0.20952300 0.36370200 0.00762100 1.0 O O48 1 0.26214600 0.28922200 0.24884900 1.0 O O49 1 0.26214600 0.71077800 0.75115100 1.0 O O50 1 0.39175000 0.97735300 0.12499600 1.0 O O51 1 0.39175000 0.02264700 0.87500400 1.0 O O52 1 0.45409600 0.66521100 0.53035300 1.0 O O53 1 0.45409600 0.33478900 0.46964700 1.0 O O54 1 0.40126400 0.86886600 0.35711400 1.0 O O55 1 0.40126400 0.13113400 0.64288600 1.0 O O56 1 0.65799700 0.14636600 0.15394300 1.0 O O57 1 0.65799700 0.85363400 0.84605700 1.0 O O58 1 0.50717900 0.68522200 0.93810600 1.0 O O59 1 0.50717900 0.31477800 0.06189400 1.0 O O60 1 0.65969900 0.99454700 0.62066100 1.0 O O61 1 0.65969900 0.00545300 0.37933900 1.0 O O62 1 0.66037200 0.19846800 0.90957600 1.0 O O63 1 0.66037200 0.80153200 0.09042400 1.0 O O64 1 0.65267300 0.31475400 0.65146300 1.0 O O65 1 0.65267300 0.68524600 0.34853700 1.0 O O66 1 0.74034200 0.32018800 0.34614100 1.0 O O67 1 0.74034200 0.67981200 0.65385900 1.0 O O68 1 0.83480900 0.15488900 0.73313900 1.0 O O69 1 0.83480900 0.84511100 0.26686100 1.0 O O70 1 0.89270800 0.14537900 0.16320100 1.0 O O71 1 0.89270800 0.85462100 0.83679900 1.0 O O72 1 0.93151100 0.34515600 0.46602300 1.0 O O73 1 0.93151100 0.65484400 0.53397700 1.0 O O74 1 0.72593200 0.53654200 0.10837700 1.0 O O75 1 0.72593200 0.46345800 0.89162300 1.0 O O76 1 0.88391700 0.90487800 0.58940200 1.0 O O77 1 0.88391700 0.09512200 0.41059800 1.0 O O78 1 0.85682200 0.44630000 0.69686000 1.0 O O79 1 0.85682200 0.55370000 0.30314000 1.0