# generated using pymatgen data_Li9Mn2(CO3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37920754 _cell_length_b 9.62445347 _cell_length_c 11.24409737 _cell_angle_alpha 90.22540040 _cell_angle_beta 88.93748664 _cell_angle_gamma 89.89906462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn2(CO3)8 _chemical_formula_sum 'Li18 Mn4 C16 O48' _cell_volume 906.61907241 _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 0.43222000 0.63562300 0.06519500 1.0 Li Li1 1 0.93881400 0.86412000 0.06803600 1.0 Li Li2 1 0.44007100 0.15335300 0.15380100 1.0 Li Li3 1 0.93250900 0.34914800 0.14592700 1.0 Li Li4 1 0.30191700 0.90168400 0.23111700 1.0 Li Li5 1 0.80099600 0.60233800 0.22216700 1.0 Li Li6 1 0.46644500 0.66463000 0.34102500 1.0 Li Li7 1 0.97599700 0.82591500 0.35560400 1.0 Li Li8 1 0.92795600 0.42761400 0.44302600 1.0 Li Li9 1 0.56809100 0.91765100 0.58165800 1.0 Li Li10 1 0.52912100 0.32591700 0.65042700 1.0 Li Li11 1 0.04468100 0.16175100 0.66729800 1.0 Li Li12 1 0.20126600 0.40116000 0.77202800 1.0 Li Li13 1 0.70778700 0.10138600 0.77525300 1.0 Li Li14 1 0.06357000 0.63902300 0.86198900 1.0 Li Li15 1 0.57107100 0.86550500 0.86924000 1.0 Li Li16 1 0.06714300 0.13405300 0.93521200 1.0 Li Li17 1 0.55875800 0.36509800 0.93256000 1.0 Mn Mn18 1 0.22107200 0.88427700 0.72509800 1.0 Mn Mn19 1 0.72964500 0.59698000 0.72658300 1.0 Mn Mn20 1 0.27253400 0.39538800 0.27673000 1.0 Mn Mn21 1 0.77203100 0.09143300 0.27704400 1.0 C C22 1 0.24276500 0.38516500 0.02817500 1.0 C C23 1 0.73695800 0.11114200 0.02904000 1.0 C C24 1 0.13480600 0.63856800 0.20852200 1.0 C C25 1 0.63789800 0.86025100 0.20847200 1.0 C C26 1 0.11592900 0.14034500 0.28270500 1.0 C C27 1 0.62131000 0.36464900 0.28809000 1.0 C C28 1 0.25729800 0.85137600 0.48127000 1.0 C C29 1 0.75928800 0.65419900 0.48891800 1.0 C C30 1 0.24246800 0.35541200 0.52450400 1.0 C C31 1 0.73708400 0.15222900 0.50925500 1.0 C C32 1 0.38679800 0.64215000 0.71992800 1.0 C C33 1 0.88005500 0.86019900 0.71504100 1.0 C C34 1 0.37240200 0.13547300 0.79452900 1.0 C C35 1 0.86644500 0.35918500 0.79564200 1.0 C C36 1 0.24946100 0.88381100 0.97515800 1.0 C C37 1 0.75355600 0.61316300 0.97570700 1.0 O O38 1 0.88114500 0.67590000 0.00369500 1.0 O O39 1 0.18522300 0.98575500 0.03107000 1.0 O O40 1 0.69258600 0.50988800 0.03077700 1.0 O O41 1 0.33556600 0.34092800 0.11899200 1.0 O O42 1 0.83279500 0.15096400 0.12020700 1.0 O O43 1 0.10274100 0.76845000 0.19936300 1.0 O O44 1 0.59985400 0.73311600 0.19703500 1.0 O O45 1 0.03286600 0.54060200 0.20246400 1.0 O O46 1 0.54317400 0.96416900 0.20377900 1.0 O O47 1 0.28526300 0.60164800 0.22675400 1.0 O O48 1 0.78949500 0.89355900 0.22939300 1.0 O O49 1 0.08173900 0.27065700 0.26694100 1.0 O O50 1 0.59328300 0.23130200 0.27939800 1.0 O O51 1 0.25833100 0.09728100 0.27695500 1.0 O O52 1 0.76144500 0.41283200 0.27768300 1.0 O O53 1 0.99888800 0.05364600 0.30654400 1.0 O O54 1 0.49963700 0.44738400 0.30790100 1.0 O O55 1 0.35624100 0.83297500 0.39505300 1.0 O O56 1 0.84792400 0.65332800 0.39515700 1.0 O O57 1 0.18804300 0.43049000 0.43081300 1.0 O O58 1 0.71123800 0.04470100 0.43420400 1.0 O O59 1 0.11785900 0.80294200 0.48785400 1.0 O O60 1 0.83998500 0.24222700 0.47786300 1.0 O O61 1 0.38552300 0.31763200 0.52366400 1.0 O O62 1 0.64697500 0.73860500 0.51135800 1.0 O O63 1 0.30945200 0.93009500 0.57347500 1.0 O O64 1 0.78905200 0.55114100 0.56753800 1.0 O O65 1 0.13814100 0.33099800 0.60683300 1.0 O O66 1 0.65644100 0.15144700 0.60629100 1.0 O O67 1 0.50154200 0.55456100 0.69929000 1.0 O O68 1 0.99959000 0.94601000 0.69739400 1.0 O O69 1 0.73834600 0.90593000 0.72100400 1.0 O O70 1 0.42109000 0.77409000 0.73486000 1.0 O O71 1 0.24254200 0.60254300 0.72417600 1.0 O O72 1 0.91277400 0.72877700 0.72648300 1.0 O O73 1 0.71596900 0.39518300 0.77471500 1.0 O O74 1 0.22430900 0.08878200 0.77641700 1.0 O O75 1 0.39165800 0.26740800 0.80274200 1.0 O O76 1 0.48243500 0.04577900 0.80193200 1.0 O O77 1 0.96608800 0.45852800 0.80370800 1.0 O O78 1 0.90048800 0.22962800 0.80463200 1.0 O O79 1 0.16373300 0.83120900 0.88333700 1.0 O O80 1 0.66963500 0.66164300 0.88165800 1.0 O O81 1 0.29313000 0.49212200 0.97180800 1.0 O O82 1 0.78064500 0.00182300 0.97221100 1.0 O O83 1 0.11800900 0.31649000 0.00392000 1.0 O O84 1 0.38111700 0.82622200 0.00069900 1.0 O O85 1 0.61646900 0.18596000 0.00652800 1.0