# generated using pymatgen data_Li8MnFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65073400 _cell_length_b 8.79167474 _cell_length_c 12.19299782 _cell_angle_alpha 90.06922022 _cell_angle_beta 90.02216553 _cell_angle_gamma 90.08953778 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8MnFe7(PO4)12 _chemical_formula_sum 'Li8 Mn1 Fe7 P12 O48' _cell_volume 927.32973643 _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 0.21697800 0.27808500 0.81852200 1.0 Li Li1 1 0.21716500 0.22237300 0.18128500 1.0 Li Li2 1 0.28368600 0.77768600 0.68069300 1.0 Li Li3 1 0.28257300 0.72167100 0.31868400 1.0 Li Li4 1 0.71683700 0.27782800 0.68112500 1.0 Li Li5 1 0.71617000 0.22019100 0.31909400 1.0 Li Li6 1 0.78289800 0.77783200 0.81852300 1.0 Li Li7 1 0.78361500 0.72233200 0.18095700 1.0 Mn Mn8 1 0.75258000 0.53847700 0.38837700 1.0 Fe Fe9 1 0.24776600 0.04142200 0.38701900 1.0 Fe Fe10 1 0.25020800 0.45901000 0.61309600 1.0 Fe Fe11 1 0.25023100 0.95856200 0.88661900 1.0 Fe Fe12 1 0.24991100 0.54121500 0.11399000 1.0 Fe Fe13 1 0.75002200 0.45900200 0.88714400 1.0 Fe Fe14 1 0.74975900 0.04055000 0.11312200 1.0 Fe Fe15 1 0.75076300 0.96061000 0.61383100 1.0 P P16 1 0.03731200 0.74918000 0.49970800 1.0 P P17 1 0.46043500 0.25011100 0.00007000 1.0 P P18 1 0.54010600 0.74983200 0.99972600 1.0 P P19 1 0.95958800 0.25256000 0.50064000 1.0 P P20 1 0.10607200 0.60679900 0.85299300 1.0 P P21 1 0.10617100 0.89336900 0.14733200 1.0 P P22 1 0.39591800 0.39571000 0.35353500 1.0 P P23 1 0.39370100 0.10732700 0.64689200 1.0 P P24 1 0.60547900 0.89066200 0.35479000 1.0 P P25 1 0.60768900 0.60673800 0.64544500 1.0 P P26 1 0.89381500 0.39288900 0.14968400 1.0 P P27 1 0.89411100 0.10727200 0.85315000 1.0 O O28 1 0.05523900 0.36042100 0.57081300 1.0 O O29 1 0.05405400 0.14575300 0.42756400 1.0 O O30 1 0.07297500 0.10463600 0.84395400 1.0 O O31 1 0.07225900 0.39595200 0.15791700 1.0 O O32 1 0.14590400 0.83578400 0.41962700 1.0 O O33 1 0.14700200 0.66190800 0.57820900 1.0 O O34 1 0.15653100 0.56648200 0.96978100 1.0 O O35 1 0.15683400 0.93382200 0.03063200 1.0 O O36 1 0.16312300 0.76712100 0.81921700 1.0 O O37 1 0.16289300 0.73303600 0.18071900 1.0 O O38 1 0.17387500 0.48600500 0.77380900 1.0 O O39 1 0.17410600 0.01474800 0.22670700 1.0 O O40 1 0.32618300 0.98579300 0.72612700 1.0 O O41 1 0.32778400 0.51529500 0.27406600 1.0 O O42 1 0.34309900 0.23369900 0.31956100 1.0 O O43 1 0.33662600 0.26725000 0.68047700 1.0 O O44 1 0.34582000 0.43467400 0.46991500 1.0 O O45 1 0.34283100 0.06611900 0.53008400 1.0 O O46 1 0.35068800 0.16282300 0.92102200 1.0 O O47 1 0.35086000 0.33730700 0.07889800 1.0 O O48 1 0.42703900 0.89297300 0.34385600 1.0 O O49 1 0.42893300 0.60450100 0.65405100 1.0 O O50 1 0.44345100 0.85768200 0.92936000 1.0 O O51 1 0.44298600 0.64222500 0.07034900 1.0 O O52 1 0.55708200 0.35741400 0.92904500 1.0 O O53 1 0.55702000 0.14253300 0.07086300 1.0 O O54 1 0.57748400 0.39759900 0.34371500 1.0 O O55 1 0.57255400 0.10463400 0.65629800 1.0 O O56 1 0.64904900 0.66249700 0.92063300 1.0 O O57 1 0.64926500 0.83684600 0.07926200 1.0 O O58 1 0.65626300 0.93205700 0.47042900 1.0 O O59 1 0.65545700 0.56392300 0.52643000 1.0 O O60 1 0.66487500 0.76661600 0.67871200 1.0 O O61 1 0.66338600 0.72724100 0.32164800 1.0 O O62 1 0.67606400 0.48579400 0.72398100 1.0 O O63 1 0.67473900 0.00900300 0.27415900 1.0 O O64 1 0.82594100 0.98611300 0.77403100 1.0 O O65 1 0.82275300 0.51518200 0.22976300 1.0 O O66 1 0.83708400 0.26773300 0.82002900 1.0 O O67 1 0.83607400 0.23270300 0.18236500 1.0 O O68 1 0.84076100 0.43767500 0.03439000 1.0 O O69 1 0.84349300 0.06708800 0.96988400 1.0 O O70 1 0.85081400 0.34144400 0.41834100 1.0 O O71 1 0.84925700 0.16452600 0.57803200 1.0 O O72 1 0.92724300 0.89556400 0.15605400 1.0 O O73 1 0.92702700 0.60424000 0.84443500 1.0 O O74 1 0.94140900 0.85626700 0.56990000 1.0 O O75 1 0.94225100 0.64000100 0.42483900 1.0