# generated using pymatgen data_Ca6Pr6Mn11CrO36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45463100 _cell_length_b 5.50315600 _cell_length_c 23.11845526 _cell_angle_alpha 90.00855775 _cell_angle_beta 90.00041636 _cell_angle_gamma 90.00170748 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Pr6Mn11CrO36 _chemical_formula_sum 'Ca6 Pr6 Mn11 Cr1 O36' _cell_volume 693.96250717 _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 Ca Ca0 1 0.50933700 0.45791500 0.08329900 1.0 Ca Ca1 1 0.50948000 0.45809400 0.41656100 1.0 Ca Ca2 1 0.50853100 0.45738900 0.75014600 1.0 Ca Ca3 1 0.00873000 0.04201800 0.24994300 1.0 Ca Ca4 1 0.00938000 0.04165800 0.91680300 1.0 Ca Ca5 1 0.00991700 0.04324700 0.58333000 1.0 Pr Pr6 1 0.99186900 0.96379400 0.08338700 1.0 Pr Pr7 1 0.99158000 0.96410600 0.41660900 1.0 Pr Pr8 1 0.99053800 0.96199000 0.74996400 1.0 Pr Pr9 1 0.49197900 0.53696500 0.58331300 1.0 Pr Pr10 1 0.49102700 0.53631500 0.24994000 1.0 Pr Pr11 1 0.49165200 0.53595900 0.91672500 1.0 Mn Mn12 1 0.50049300 0.00077600 0.99993200 1.0 Mn Mn13 1 0.49965700 0.00098000 0.16679800 1.0 Mn Mn14 1 0.49904700 0.00117600 0.33310800 1.0 Mn Mn15 1 0.50008000 0.00129400 0.50009000 1.0 Mn Mn16 1 0.49949500 0.00081100 0.66653000 1.0 Mn Mn17 1 0.49917300 0.00068100 0.83352800 1.0 Mn Mn18 1 0.99947300 0.49907500 0.16653200 1.0 Mn Mn19 1 0.00001900 0.49961100 0.49990900 1.0 Mn Mn20 1 0.00072000 0.49921300 0.00024100 1.0 Mn Mn21 1 0.99954900 0.49837000 0.83312700 1.0 Mn Mn22 1 0.99871100 0.49903300 0.33337800 1.0 Cr Cr23 1 0.99953900 0.49892100 0.66685800 1.0 O O24 1 0.57842600 0.98432700 0.24969600 1.0 O O25 1 0.57808500 0.98428800 0.91701300 1.0 O O26 1 0.57990500 0.98402500 0.58363500 1.0 O O27 1 0.21708800 0.79112800 0.65210800 1.0 O O28 1 0.21608900 0.78418800 0.98624300 1.0 O O29 1 0.21546400 0.78426200 0.31923200 1.0 O O30 1 0.21552100 0.78446500 0.18059200 1.0 O O31 1 0.21532200 0.78451400 0.51385800 1.0 O O32 1 0.21574500 0.78395000 0.84760200 1.0 O O33 1 0.71603800 0.71577700 0.01399700 1.0 O O34 1 0.71529100 0.71563800 0.15269900 1.0 O O35 1 0.71583600 0.71614600 0.48581900 1.0 O O36 1 0.71543200 0.71576700 0.34709700 1.0 O O37 1 0.70756100 0.71716900 0.68127000 1.0 O O38 1 0.71558700 0.71503600 0.81962400 1.0 O O39 1 0.08102200 0.51705100 0.75112100 1.0 O O40 1 0.07834200 0.51597400 0.08313800 1.0 O O41 1 0.07883200 0.51674700 0.41730200 1.0 O O42 1 0.92433300 0.48184600 0.58221000 1.0 O O43 1 0.92705100 0.48333700 0.25018300 1.0 O O44 1 0.92728700 0.48283300 0.91609800 1.0 O O45 1 0.28108600 0.28207400 0.32033100 1.0 O O46 1 0.28130900 0.28222700 0.51268000 1.0 O O47 1 0.28960500 0.28036400 0.65293300 1.0 O O48 1 0.28132100 0.28181300 0.17958900 1.0 O O49 1 0.28171700 0.28175800 0.98729200 1.0 O O50 1 0.28145300 0.28174800 0.84645400 1.0 O O51 1 0.78141500 0.21782100 0.15373200 1.0 O O52 1 0.78167700 0.21811100 0.01302100 1.0 O O53 1 0.78144900 0.21805500 0.34611600 1.0 O O54 1 0.78168800 0.21825500 0.48675400 1.0 O O55 1 0.78171500 0.21777800 0.82059100 1.0 O O56 1 0.78038400 0.21057800 0.68028800 1.0 O O57 1 0.42774100 0.01691400 0.41632100 1.0 O O58 1 0.42734800 0.01699200 0.08361700 1.0 O O59 1 0.42585800 0.01765100 0.74969300 1.0