# generated using pymatgen data_Li6Mn3V(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61239900 _cell_length_b 8.72330250 _cell_length_c 12.37088277 _cell_angle_alpha 89.88344668 _cell_angle_beta 88.10445251 _cell_angle_gamma 89.83653874 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Mn3V(PO4)6 _chemical_formula_sum 'Li12 Mn6 V2 P12 O48' _cell_volume 928.89251857 _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 0.92126300 0.08936300 0.69589200 1.0 Li Li1 1 0.92745600 0.69415200 0.75974400 1.0 Li Li2 1 0.78871500 0.77686000 0.17651300 1.0 Li Li3 1 0.70576800 0.28166700 0.32652000 1.0 Li Li4 1 0.57734200 0.19696900 0.74188000 1.0 Li Li5 1 0.58308000 0.58368800 0.80467200 1.0 Li Li6 1 0.41768900 0.41382900 0.19629100 1.0 Li Li7 1 0.41764400 0.80550700 0.26273300 1.0 Li Li8 1 0.29349300 0.71671900 0.67031300 1.0 Li Li9 1 0.21058900 0.21810100 0.82762100 1.0 Li Li10 1 0.08314400 0.30488200 0.23702100 1.0 Li Li11 1 0.07942900 0.91761300 0.30054100 1.0 Mn Mn12 1 0.75288500 0.53833500 0.60315100 1.0 Mn Mn13 1 0.74734300 0.95970600 0.39095500 1.0 Mn Mn14 1 0.25260800 0.04416600 0.60936900 1.0 Mn Mn15 1 0.24788000 0.54026000 0.89126600 1.0 Mn Mn16 1 0.25070600 0.96062300 0.09949300 1.0 Mn Mn17 1 0.24868600 0.46374000 0.39977900 1.0 V V18 1 0.74809300 0.03066400 0.89269800 1.0 V V19 1 0.75112200 0.45538400 0.11125100 1.0 P P20 1 0.96253200 0.25547300 0.49443800 1.0 P P21 1 0.89880400 0.38585100 0.85721300 1.0 P P22 1 0.89552700 0.09838900 0.15114800 1.0 P P23 1 0.59682300 0.59832700 0.34693500 1.0 P P24 1 0.60444700 0.88554400 0.64453500 1.0 P P25 1 0.53625800 0.74468500 0.00714300 1.0 P P26 1 0.45950900 0.24364800 0.99675000 1.0 P P27 1 0.39572000 0.11555000 0.36163000 1.0 P P28 1 0.40162600 0.40280200 0.65700400 1.0 P P29 1 0.10631900 0.90158100 0.84114100 1.0 P P30 1 0.10302200 0.61645700 0.13849100 1.0 P P31 1 0.03711700 0.74881700 0.50254200 1.0 O O32 1 0.94909900 0.86560400 0.43068500 1.0 O O33 1 0.92499300 0.89316200 0.84725600 1.0 O O34 1 0.92772700 0.68192500 0.59438100 1.0 O O35 1 0.92769800 0.59243000 0.16570100 1.0 O O36 1 0.90085900 0.37482500 0.57702700 1.0 O O37 1 0.86015300 0.21823400 0.82091500 1.0 O O38 1 0.86025700 0.40127000 0.97846500 1.0 O O39 1 0.85367300 0.97757400 0.24295400 1.0 O O40 1 0.84346100 0.26105800 0.18948600 1.0 O O41 1 0.83023700 0.18095200 0.43421900 1.0 O O42 1 0.82569300 0.04493600 0.04727800 1.0 O O43 1 0.80673400 0.50740800 0.79395000 1.0 O O44 1 0.69500400 0.00297800 0.71365500 1.0 O O45 1 0.67004100 0.54567200 0.44961200 1.0 O O46 1 0.66896200 0.66439900 0.06647200 1.0 O O47 1 0.64561400 0.75951900 0.30622700 1.0 O O48 1 0.64381400 0.90560700 0.52345500 1.0 O O49 1 0.64129300 0.71611000 0.67855700 1.0 O O50 1 0.63572200 0.47548200 0.25690700 1.0 O O51 1 0.60655500 0.86315100 0.92791700 1.0 O O52 1 0.56835700 0.17616700 0.90556700 1.0 O O53 1 0.58415100 0.39357800 0.65057000 1.0 O O54 1 0.57317400 0.09239300 0.33642200 1.0 O O55 1 0.54738000 0.35887800 0.06747400 1.0 O O56 1 0.44962800 0.62919400 0.93597700 1.0 O O57 1 0.42712800 0.90716100 0.66620900 1.0 O O58 1 0.41414400 0.60800400 0.35255700 1.0 O O59 1 0.42804500 0.81474900 0.09759600 1.0 O O60 1 0.39992700 0.12185900 0.07964100 1.0 O O61 1 0.36427200 0.52365300 0.74902300 1.0 O O62 1 0.35918500 0.28405800 0.32384300 1.0 O O63 1 0.36645000 0.10749600 0.48503300 1.0 O O64 1 0.35233200 0.24126000 0.69622800 1.0 O O65 1 0.32305000 0.31943500 0.94116700 1.0 O O66 1 0.32702600 0.46018800 0.55561800 1.0 O O67 1 0.30143700 0.99518400 0.30110700 1.0 O O68 1 0.19929900 0.49551500 0.19855300 1.0 O O69 1 0.17943400 0.95910300 0.94269000 1.0 O O70 1 0.17065200 0.82558000 0.56046500 1.0 O O71 1 0.15718700 0.74165600 0.80098300 1.0 O O72 1 0.14133500 0.02640500 0.75033900 1.0 O O73 1 0.13192700 0.60907300 0.01477300 1.0 O O74 1 0.13921900 0.78554000 0.17538800 1.0 O O75 1 0.09900400 0.62804500 0.42116700 1.0 O O76 1 0.07624400 0.40746200 0.83312100 1.0 O O77 1 0.07304900 0.32360200 0.40349200 1.0 O O78 1 0.07769200 0.10640000 0.14879000 1.0 O O79 1 0.04904000 0.13671700 0.56441900 1.0