# generated using pymatgen data_La8Mn9O27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.54290658 _cell_length_b 9.52481093 _cell_length_c 16.52461643 _cell_angle_alpha 55.33485132 _cell_angle_beta 60.57893605 _cell_angle_gamma 30.27153719 _symmetry_Int_Tables_number 1 _chemical_formula_structural La8Mn9O27 _chemical_formula_sum 'La16 Mn18 O54' _cell_volume 1079.55759863 _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 La La0 1 0.00252160 0.23772264 0.08408442 1.0 La La1 1 0.00252160 0.25471256 0.41591558 1.0 La La2 1 0.99625031 0.25562453 0.75000000 1.0 La La3 1 0.32662389 0.26218183 0.08579920 1.0 La La4 1 0.00670911 0.74205449 0.58579920 1.0 La La5 1 0.32662389 0.25794551 0.41420080 1.0 La La6 1 0.00670911 0.73781817 0.91420080 1.0 La La7 1 0.33708269 0.74437547 0.25000000 1.0 La La8 1 0.67560881 0.23599671 0.08851084 1.0 La La9 1 0.33081140 0.74528744 0.58408442 1.0 La La10 1 0.67560881 0.23717786 0.41148916 1.0 La La11 1 0.33081140 0.76227736 0.91591558 1.0 La La12 1 0.66235800 0.25646350 0.75000000 1.0 La La13 1 0.67097600 0.74353650 0.25000000 1.0 La La14 1 0.65772519 0.76282214 0.58851084 1.0 La La15 1 0.65772519 0.76400329 0.91148916 1.0 Mn Mn16 1 0.00019060 0.99691724 0.00193406 1.0 Mn Mn17 1 0.00112718 0.50007039 0.16775826 1.0 Mn Mn18 1 0.33314240 0.00308276 0.99806594 1.0 Mn Mn19 1 0.00019060 0.50251098 0.49806594 1.0 Mn Mn20 1 0.00296472 0.49734029 0.83280242 1.0 Mn Mn21 1 0.00112718 0.99654807 0.33224174 1.0 Mn Mn22 1 0.33036828 0.50265971 0.16719758 1.0 Mn Mn23 1 0.66666700 0.00000000 0.00000000 1.0 Mn Mn24 1 0.00296472 0.99376554 0.66719758 1.0 Mn Mn25 1 0.33314240 0.49748902 0.50193406 1.0 Mn Mn26 1 0.33220582 0.49992961 0.83224174 1.0 Mn Mn27 1 0.33036828 0.00623446 0.33280242 1.0 Mn Mn28 1 0.66927823 0.49514259 0.16694059 1.0 Mn Mn29 1 0.33220582 0.00345193 0.66775826 1.0 Mn Mn30 1 0.66666700 0.50000000 0.50000000 1.0 Mn Mn31 1 0.66405577 0.50485741 0.83305941 1.0 Mn Mn32 1 0.66927823 0.99702372 0.33305941 1.0 Mn Mn33 1 0.66405577 0.00297628 0.66694059 1.0 O O34 1 0.03498846 0.19751781 0.25000000 1.0 O O35 1 0.14991089 0.30118862 0.06612672 1.0 O O36 1 0.03379732 0.20008983 0.58429754 1.0 O O37 1 0.19484533 0.21863146 0.23310083 1.0 O O38 1 0.15853936 0.27183316 0.40983017 1.0 O O39 1 0.15853936 0.75254775 0.09016983 1.0 O O40 1 0.03379732 0.19851922 0.91570246 1.0 O O41 1 0.18342211 0.25092229 0.56612672 1.0 O O42 1 0.37513474 0.18729789 0.25000000 1.0 O O43 1 0.13848767 0.30316744 0.73310083 1.0 O O44 1 0.19484533 0.69683256 0.26689917 1.0 O O45 1 0.48317521 0.30479520 0.06430393 1.0 O O46 1 0.14991089 0.74907771 0.43387328 1.0 O O47 1 0.29953668 0.80148078 0.08429754 1.0 O O48 1 0.17479364 0.24745225 0.90983017 1.0 O O49 1 0.36721507 0.19961673 0.57294598 1.0 O O50 1 0.51959333 0.24528831 0.23223717 1.0 O O51 1 0.17479364 0.72816684 0.59016983 1.0 O O52 1 0.48341715 0.30136359 0.39906574 1.0 O O53 1 0.13848767 0.78136854 0.76689917 1.0 O O54 1 0.29953668 0.79991017 0.41570246 1.0 O O55 1 0.48341715 0.74838597 0.10093426 1.0 O O56 1 0.36721507 0.19873806 0.92705402 1.0 O O57 1 0.52262148 0.25020070 0.56068698 1.0 O O58 1 0.68139459 0.22790762 0.25000000 1.0 O O59 1 0.18342211 0.69881138 0.93387328 1.0 O O60 1 0.49257140 0.30229670 0.73170429 1.0 O O61 1 0.51959333 0.69593070 0.26776283 1.0 O O62 1 0.81071152 0.31806614 0.06068698 1.0 O O63 1 0.29834554 0.80248219 0.75000000 1.0 O O64 1 0.48317521 0.74568018 0.43569607 1.0 O O65 1 0.62657221 0.81291082 0.08231887 1.0 O O66 1 0.51793345 0.25097905 0.89892074 1.0 O O67 1 0.70676079 0.19262745 0.58231887 1.0 O O68 1 0.84076260 0.28000990 0.23170429 1.0 O O69 1 0.51793345 0.69521959 0.60107926 1.0 O O70 1 0.81539955 0.30478041 0.39892074 1.0 O O71 1 0.49257140 0.71999010 0.76829571 1.0 O O72 1 0.62657221 0.80737255 0.41768113 1.0 O O73 1 0.81539955 0.74902095 0.10107926 1.0 O O74 1 0.70676079 0.18708918 0.91768113 1.0 O O75 1 0.85015879 0.25431982 0.56430393 1.0 O O76 1 0.52262148 0.68193386 0.93931302 1.0 O O77 1 0.81373967 0.30406930 0.73223717 1.0 O O78 1 0.84076260 0.69770330 0.26829571 1.0 O O79 1 0.65193841 0.77209238 0.75000000 1.0 O O80 1 0.81071152 0.74979930 0.43931302 1.0 O O81 1 0.96611793 0.80126194 0.07294598 1.0 O O82 1 0.84991685 0.25161403 0.89906574 1.0 O O83 1 0.84991685 0.69863641 0.60093426 1.0 O O84 1 0.81373967 0.75471169 0.76776283 1.0 O O85 1 0.96611793 0.80038327 0.42705402 1.0 O O86 1 0.85015879 0.69520480 0.93569607 1.0 O O87 1 0.95819826 0.81270211 0.75000000 1.0