# generated using pymatgen data_Li6Co3P8O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87909900 _cell_length_b 9.89398777 _cell_length_c 13.93398876 _cell_angle_alpha 89.66145159 _cell_angle_beta 89.50295433 _cell_angle_gamma 60.44359319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Co3P8O29 _chemical_formula_sum 'Li12 Co6 P16 O58' _cell_volume 1184.68163738 _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 0.22681600 0.09330500 0.56207700 1.0 Li Li1 1 0.09173900 0.68311700 0.56522400 1.0 Li Li2 1 0.76676800 0.32608800 0.93650400 1.0 Li Li3 1 0.67381200 0.09330800 0.06509500 1.0 Li Li4 1 0.90971000 0.31836400 0.43394700 1.0 Li Li5 1 0.68253700 0.22638700 0.56059200 1.0 Li Li6 1 0.32443300 0.90908900 0.93506200 1.0 Li Li7 1 0.99989700 0.99687500 0.00087300 1.0 Li Li8 1 0.67010600 0.66923600 0.61975700 1.0 Li Li9 1 0.67509600 0.67097900 0.12142600 1.0 Li Li10 1 0.23086000 0.66940000 0.06011900 1.0 Li Li11 1 0.31487600 0.77330700 0.43699400 1.0 Co Co12 1 0.00215500 0.42966700 0.24592400 1.0 Co Co13 1 0.56858400 0.43191200 0.75019400 1.0 Co Co14 1 0.99602000 0.56716700 0.75912800 1.0 Co Co15 1 0.43515300 0.56392600 0.25159200 1.0 Co Co16 1 0.57239200 0.99622700 0.25654600 1.0 Co Co17 1 0.43434400 0.00119400 0.75450300 1.0 P P18 1 0.66635600 0.65949000 0.37191900 1.0 P P19 1 0.32984500 0.33368500 0.63112800 1.0 P P20 1 0.66266500 0.66631700 0.87462800 1.0 P P21 1 0.32251000 0.90298400 0.15922800 1.0 P P22 1 0.68578100 0.08726800 0.84524500 1.0 P P23 1 0.08955900 0.67533200 0.33928700 1.0 P P24 1 0.77121900 0.32385100 0.15800000 1.0 P P25 1 0.34154800 0.33347200 0.13084400 1.0 P P26 1 0.22925200 0.68224700 0.84002100 1.0 P P27 1 0.67545100 0.23523900 0.34118200 1.0 P P28 1 0.77375700 0.90847400 0.66105900 1.0 P P29 1 0.91057900 0.77873600 0.15795200 1.0 P P30 1 0.08381900 0.22296200 0.84070500 1.0 P P31 1 0.32762300 0.76805200 0.65678200 1.0 P P32 1 0.23248100 0.08746000 0.34062500 1.0 P P33 1 0.90948100 0.32418800 0.65448000 1.0 O O34 1 0.63000000 0.88500800 0.67423600 1.0 O O35 1 0.78586500 0.21844400 0.25047500 1.0 O O36 1 0.00036500 0.25179400 0.56327000 1.0 O O37 1 0.21544200 0.78819600 0.74756300 1.0 O O38 1 0.18323100 0.48532000 0.66463500 1.0 O O39 1 0.65138000 0.67134400 0.48172400 1.0 O O40 1 0.50852200 0.80879200 0.84078400 1.0 O O41 1 0.67125100 0.80243200 0.32978100 1.0 O O42 1 0.65860900 0.09038700 0.34229100 1.0 O O43 1 0.74775400 0.33376200 0.65483200 1.0 O O44 1 0.50809900 0.66908300 0.33825200 1.0 O O45 1 0.51357700 0.38344000 0.32276700 1.0 O O46 1 0.74736200 0.25615400 0.43127400 1.0 O O47 1 0.21485300 0.99447000 0.24955900 1.0 O O48 1 0.25020300 0.08145500 0.84068800 1.0 O O49 1 0.79639400 0.98936000 0.75610200 1.0 O O50 1 0.33751900 0.73716400 0.16195100 1.0 O O51 1 0.48426600 0.88792600 0.16736300 1.0 O O52 1 0.66716300 0.25201600 0.83695500 1.0 O O53 1 0.23321400 0.97426900 0.06691700 1.0 O O54 1 0.00582100 0.20921300 0.74123800 1.0 O O55 1 0.49479800 0.18996700 0.15869900 1.0 O O56 1 0.76594800 0.23695400 0.06960600 1.0 O O57 1 0.48223300 0.32873100 0.66197300 1.0 O O58 1 0.38112300 0.52706700 0.82776300 1.0 O O59 1 0.62615900 0.48729200 0.17108200 1.0 O O60 1 0.74458900 0.92344800 0.16086400 1.0 O O61 1 0.67201000 0.66223800 0.98450000 1.0 O O62 1 0.67871500 0.50935200 0.84038500 1.0 O O63 1 0.99101200 0.20874100 0.92290600 1.0 O O64 1 0.91987700 0.74607500 0.65709600 1.0 O O65 1 0.02074600 0.74734800 0.43632900 1.0 O O66 1 0.49226000 0.62839800 0.67449000 1.0 O O67 1 0.80300800 0.68099300 0.83388100 1.0 O O68 1 0.08511100 0.37793200 0.83322100 1.0 O O69 1 0.22584700 0.77135300 0.92974700 1.0 O O70 1 0.91572200 0.34490900 0.15898200 1.0 O O71 1 0.88506500 0.48890100 0.67463000 1.0 O O72 1 0.00729800 0.78923900 0.07691000 1.0 O O73 1 0.08366200 0.24625000 0.33963400 1.0 O O74 1 0.33098000 0.49077100 0.16176600 1.0 O O75 1 0.24596100 0.99611400 0.43108500 1.0 O O76 1 0.52815900 0.09102000 0.83015300 1.0 O O77 1 0.25296200 0.66437100 0.33821300 1.0 O O78 1 0.32051700 0.34767800 0.51939000 1.0 O O79 1 0.32531100 0.18638600 0.66297800 1.0 O O80 1 0.81085200 0.50739500 0.33951000 1.0 O O81 1 0.38064500 0.09999700 0.32107100 1.0 O O82 1 0.76698800 0.01411500 0.93794500 1.0 O O83 1 0.33789100 0.91929800 0.65618800 1.0 O O84 1 0.09799000 0.51881000 0.32059300 1.0 O O85 1 0.20073300 0.31898700 0.16782500 1.0 O O86 1 0.25119700 0.74970700 0.56802800 1.0 O O87 1 0.31714700 0.35404700 0.02037200 1.0 O O88 1 0.75643100 0.01000000 0.57556600 1.0 O O89 1 0.99084800 0.79400400 0.25628000 1.0 O O90 1 0.08500500 0.66179300 0.83656400 1.0 O O91 1 0.89506800 0.63151200 0.16499400 1.0