# generated using pymatgen data_Li12Mn3V5(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70666876 _cell_length_b 12.19318500 _cell_length_c 8.72928042 _cell_angle_alpha 90.23005854 _cell_angle_beta 90.03873362 _cell_angle_gamma 90.52004463 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li12Mn3V5(PO4)12 _chemical_formula_sum 'Li12 Mn3 V5 P12 O48' _cell_volume 926.67218994 _cell_formula_units_Z 1 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 0.07257200 0.69787000 0.08075100 1.0 Li Li1 1 0.07565500 0.75986800 0.69654500 1.0 Li Li2 1 0.20489800 0.17804900 0.77952700 1.0 Li Li3 1 0.29518200 0.32403500 0.27941700 1.0 Li Li4 1 0.42356900 0.73972000 0.19656400 1.0 Li Li5 1 0.42525700 0.80133200 0.58052900 1.0 Li Li6 1 0.57928800 0.19949000 0.42132900 1.0 Li Li7 1 0.58521700 0.26258700 0.80235300 1.0 Li Li8 1 0.70771200 0.67400600 0.71902700 1.0 Li Li9 1 0.79050300 0.82330000 0.22197900 1.0 Li Li10 1 0.91388200 0.23815800 0.30623700 1.0 Li Li11 1 0.92297900 0.30325800 0.91636600 1.0 Mn Mn12 1 0.74636200 0.60796900 0.03961000 1.0 Mn Mn13 1 0.75349300 0.89061600 0.54199200 1.0 Mn Mn14 1 0.75338100 0.39747300 0.46786100 1.0 V V15 1 0.24494400 0.60829400 0.52652200 1.0 V V16 1 0.25372200 0.89107300 0.02633200 1.0 V V17 1 0.24464700 0.10983300 0.46177400 1.0 V V18 1 0.25339500 0.39091200 0.95988300 1.0 V V19 1 0.74530800 0.10828100 0.97109200 1.0 P P20 1 0.03911700 0.49099100 0.24488500 1.0 P P21 1 0.10480200 0.85228800 0.38208200 1.0 P P22 1 0.10512100 0.14734100 0.10310100 1.0 P P23 1 0.39443500 0.35233400 0.60517300 1.0 P P24 1 0.39539700 0.64777500 0.88146200 1.0 P P25 1 0.46176300 0.00870800 0.74769600 1.0 P P26 1 0.53484400 0.99487000 0.24821100 1.0 P P27 1 0.60185000 0.35221200 0.11635800 1.0 P P28 1 0.60149500 0.65446200 0.40174900 1.0 P P29 1 0.89551300 0.85122100 0.90157400 1.0 P P30 1 0.89619700 0.14141700 0.61736200 1.0 P P31 1 0.96777200 0.50435000 0.74631000 1.0 O O32 1 0.05805600 0.43444300 0.86780200 1.0 O O33 1 0.07639700 0.85393000 0.89486400 1.0 O O34 1 0.07527900 0.59441300 0.67644400 1.0 O O35 1 0.07115400 0.16544100 0.59254900 1.0 O O36 1 0.11191900 0.56797500 0.36803200 1.0 O O37 1 0.14818300 0.82211400 0.21334300 1.0 O O38 1 0.14998200 0.97345300 0.41364100 1.0 O O39 1 0.14646700 0.23804100 0.98285300 1.0 O O40 1 0.15807900 0.18508200 0.26577300 1.0 O O41 1 0.17544900 0.43260400 0.16335500 1.0 O O42 1 0.17445900 0.03945700 0.05274300 1.0 O O43 1 0.19449100 0.78098400 0.50105300 1.0 O O44 1 0.30566100 0.72060400 0.99993600 1.0 O O45 1 0.32633200 0.45965400 0.55111900 1.0 O O46 1 0.32843000 0.07042800 0.66813600 1.0 O O47 1 0.33624400 0.31636600 0.76762600 1.0 O O48 1 0.35084700 0.52736300 0.91196300 1.0 O O49 1 0.35280300 0.67832200 0.71304800 1.0 O O50 1 0.35110100 0.26055500 0.48482900 1.0 O O51 1 0.38811700 0.93197900 0.86897400 1.0 O O52 1 0.42742400 0.90689500 0.17511700 1.0 O O53 1 0.42020800 0.65110600 0.39619700 1.0 O O54 1 0.42566000 0.33299300 0.08752400 1.0 O O55 1 0.44645500 0.06888200 0.36203500 1.0 O O56 1 0.54381200 0.93392700 0.63364300 1.0 O O57 1 0.56836800 0.66878900 0.90173000 1.0 O O58 1 0.57152400 0.35214600 0.61677000 1.0 O O59 1 0.56853900 0.09672100 0.82093600 1.0 O O60 1 0.60601800 0.07367600 0.12680800 1.0 O O61 1 0.63896100 0.74408600 0.52536400 1.0 O O62 1 0.63736300 0.31574800 0.28241600 1.0 O O63 1 0.63958600 0.47250000 0.09248400 1.0 O O64 1 0.64734900 0.69420400 0.24057000 1.0 O O65 1 0.66976000 0.93721500 0.32500300 1.0 O O66 1 0.67326500 0.54898500 0.45373300 1.0 O O67 1 0.69385200 0.27992700 0.99792000 1.0 O O68 1 0.80179000 0.20634700 0.49868400 1.0 O O69 1 0.82461600 0.96096000 0.94606500 1.0 O O70 1 0.83453600 0.56455000 0.82264100 1.0 O O71 1 0.84783300 0.80835800 0.74163300 1.0 O O72 1 0.85755400 0.76524400 0.02682300 1.0 O O73 1 0.86716600 0.01826500 0.60156200 1.0 O O74 1 0.85873800 0.17709800 0.78717400 1.0 O O75 1 0.90902900 0.42017000 0.62989200 1.0 O O76 1 0.93201900 0.83027900 0.40107200 1.0 O O77 1 0.93688100 0.40058500 0.31304300 1.0 O O78 1 0.92585700 0.14554600 0.10954600 1.0 O O79 1 0.95611500 0.56749600 0.13388100 1.0