# generated using pymatgen data_Li7Sc9Fe(SiO3)20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.17835305 _cell_length_b 11.17835305 _cell_length_c 12.90077026 _cell_angle_alpha 75.28565241 _cell_angle_beta 75.28565241 _cell_angle_gamma 47.75604242 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Sc9Fe(SiO3)20 _chemical_formula_sum 'Li7 Sc9 Fe1 Si20 O60' _cell_volume 1146.39962782 _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 0.69929300 0.10108100 0.89995800 1.0 Li Li1 1 0.09947300 0.50098400 0.79924000 1.0 Li Li2 1 0.49973300 0.89903900 0.69954600 1.0 Li Li3 1 0.30347600 0.69652400 0.50000000 1.0 Li Li4 1 0.10096100 0.50026700 0.30045400 1.0 Li Li5 1 0.49901600 0.90052700 0.20076000 1.0 Li Li6 1 0.89891900 0.30070700 0.10004200 1.0 Sc Sc7 1 0.06316300 0.74242700 0.90038700 1.0 Sc Sc8 1 0.74636400 0.85469700 0.79935000 1.0 Sc Sc9 1 0.85812500 0.53791400 0.69791100 1.0 Sc Sc10 1 0.55016700 0.64684900 0.59936900 1.0 Sc Sc11 1 0.35315100 0.44983300 0.40063100 1.0 Sc Sc12 1 0.46208600 0.14187500 0.30208900 1.0 Sc Sc13 1 0.14530300 0.25363600 0.20065000 1.0 Sc Sc14 1 0.25757300 0.93683700 0.09961300 1.0 Sc Sc15 1 0.94769300 0.05230700 0.00000000 1.0 Fe Fe16 1 0.65888200 0.34111800 0.50000000 1.0 Si Si17 1 0.59966100 0.67228400 0.93155600 1.0 Si Si18 1 0.12946000 0.20060000 0.86717900 1.0 Si Si19 1 0.40039200 0.46926400 0.73233600 1.0 Si Si20 1 0.66907400 0.40077100 0.83431400 1.0 Si Si21 1 0.19624300 0.93400900 0.76371600 1.0 Si Si22 1 0.47718200 0.19816900 0.63215100 1.0 Si Si23 1 0.00087900 0.72783400 0.56594000 1.0 Si Si24 1 0.92454800 0.00451100 0.66443800 1.0 Si Si25 1 0.20305800 0.27160700 0.53035800 1.0 Si Si26 1 0.72839300 0.79694200 0.46964200 1.0 Si Si27 1 0.27216600 0.99912100 0.43406000 1.0 Si Si28 1 0.80183100 0.52281800 0.36784900 1.0 Si Si29 1 0.06599100 0.80375700 0.23628400 1.0 Si Si30 1 0.99548900 0.07545200 0.33556200 1.0 Si Si31 1 0.53073600 0.59960800 0.26766400 1.0 Si Si32 1 0.79940000 0.87054000 0.13282100 1.0 Si Si33 1 0.32771600 0.40033900 0.06844400 1.0 Si Si34 1 0.59922900 0.33092600 0.16568600 1.0 Si Si35 1 0.87431800 0.59773900 0.03163400 1.0 Si Si36 1 0.40226100 0.12568200 0.96836600 1.0 O O37 1 0.59206000 0.99327400 0.92191800 1.0 O O38 1 0.93052100 0.66007100 0.91439100 1.0 O O39 1 0.28703700 0.17773200 0.87955900 1.0 O O40 1 0.86882200 0.94310100 0.78277300 1.0 O O41 1 0.21081800 0.60656700 0.77643100 1.0 O O42 1 0.62515000 0.51215100 0.92313000 1.0 O O43 1 0.99623200 0.39036800 0.82129400 1.0 O O44 1 0.66219200 0.72742800 0.81376700 1.0 O O45 1 0.42229300 0.31035400 0.72491000 1.0 O O46 1 0.12814700 0.88383300 0.87973900 1.0 O O47 1 0.80329800 0.21104900 0.87989800 1.0 O O48 1 0.18179700 0.08611300 0.77753500 1.0 O O49 1 0.94111300 0.67086000 0.68423400 1.0 O O50 1 0.60783700 0.00768900 0.67754800 1.0 O O51 1 0.51381800 0.42031500 0.82112400 1.0 O O52 1 0.97896600 0.88566800 0.57733600 1.0 O O53 1 0.38534800 0.79669600 0.71749500 1.0 O O54 1 0.71959600 0.46882100 0.71854000 1.0 O O55 1 0.31972900 0.22253600 0.61699200 1.0 O O56 1 0.19143800 0.59614900 0.52016900 1.0 O O57 1 0.52591800 0.27055700 0.51743900 1.0 O O58 1 0.08137700 0.98326800 0.67513500 1.0 O O59 1 0.67181600 0.73652300 0.58762100 1.0 O O60 1 0.01635500 0.41489200 0.57400200 1.0 O O61 1 0.88846100 0.77114400 0.47858100 1.0 O O62 1 0.77975400 0.19231000 0.62006900 1.0 O O63 1 0.46244600 0.52428600 0.61420000 1.0 O O64 1 0.22885600 0.11153900 0.52141900 1.0 O O65 1 0.58510800 0.98364500 0.42599800 1.0 O O66 1 0.26347700 0.32818400 0.41237900 1.0 O O67 1 0.72944300 0.47408200 0.48256100 1.0 O O68 1 0.40385100 0.80856200 0.47983100 1.0 O O69 1 0.77746400 0.68027100 0.38300800 1.0 O O70 1 0.53117900 0.28040400 0.28146000 1.0 O O71 1 0.20330400 0.61465200 0.28250500 1.0 O O72 1 0.11433200 0.02103400 0.42266400 1.0 O O73 1 0.99231100 0.39216300 0.32245200 1.0 O O74 1 0.32914000 0.05888700 0.31576600 1.0 O O75 1 0.47571400 0.53755400 0.38580000 1.0 O O76 1 0.91388700 0.81820300 0.22246500 1.0 O O77 1 0.80769000 0.22024600 0.37993100 1.0 O O78 1 0.68964600 0.57770700 0.27509000 1.0 O O79 1 0.27257200 0.33780800 0.18623300 1.0 O O80 1 0.60963200 0.00376800 0.17870600 1.0 O O81 1 0.01673200 0.91862300 0.32486500 1.0 O O82 1 0.48784900 0.37485000 0.07687000 1.0 O O83 1 0.39343300 0.78918200 0.22356900 1.0 O O84 1 0.05689900 0.13117800 0.21722700 1.0 O O85 1 0.82226800 0.71296300 0.12044100 1.0 O O86 1 0.18295900 0.58661800 0.02535500 1.0 O O87 1 0.57968500 0.48618200 0.17887600 1.0 O O88 1 0.85977100 0.92854200 0.01561800 1.0 O O89 1 0.33992900 0.06947900 0.08560900 1.0 O O90 1 0.00672600 0.40794000 0.07808200 1.0 O O91 1 0.37920500 0.28390100 0.98010800 1.0 O O92 1 0.78895100 0.19670200 0.12010200 1.0 O O93 1 0.11616700 0.87185300 0.12026100 1.0 O O94 1 0.71609900 0.62079500 0.01989200 1.0 O O95 1 0.07145800 0.14022900 0.98438200 1.0 O O96 1 0.41338200 0.81704100 0.97464500 1.0