# generated using pymatgen data_Pr12Mn11O36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03706980 _cell_length_b 7.88059352 _cell_length_c 23.44034985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 45.91120507 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr12Mn11O36 _chemical_formula_sum 'Pr24 Mn22 O72' _cell_volume 1464.40069560 _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 Pr Pr0 1 0.02973274 0.45157937 0.58601168 1.0 Pr Pr1 1 0.00923783 0.44781438 0.24587958 1.0 Pr Pr2 1 0.01638775 0.45631262 0.91563091 1.0 Pr Pr3 1 0.47491604 0.04018369 0.08502541 1.0 Pr Pr4 1 0.47236461 0.04316353 0.41570658 1.0 Pr Pr5 1 0.45341416 0.07964675 0.74412747 1.0 Pr Pr6 1 0.02508396 0.95981631 0.24830759 1.0 Pr Pr7 1 0.02763539 0.95683647 0.91762742 1.0 Pr Pr8 1 0.04658584 0.92035325 0.58920553 1.0 Pr Pr9 1 0.50923783 0.44781438 0.58745342 1.0 Pr Pr10 1 0.52973274 0.45157937 0.24732132 1.0 Pr Pr11 1 0.51638775 0.45631262 0.91770309 1.0 Pr Pr12 1 0.49076217 0.55218562 0.08745342 1.0 Pr Pr13 1 0.48361225 0.54368738 0.41770309 1.0 Pr Pr14 1 0.47026726 0.54842063 0.74732132 1.0 Pr Pr15 1 0.95341416 0.07964675 0.08920553 1.0 Pr Pr16 1 0.97236461 0.04316353 0.41762742 1.0 Pr Pr17 1 0.97491604 0.04018369 0.74830759 1.0 Pr Pr18 1 0.54658584 0.92035325 0.24412747 1.0 Pr Pr19 1 0.52763539 0.95683647 0.91570658 1.0 Pr Pr20 1 0.52508396 0.95981631 0.58502541 1.0 Pr Pr21 1 0.97026726 0.54842063 0.08601168 1.0 Pr Pr22 1 0.98361225 0.54368738 0.41563091 1.0 Pr Pr23 1 0.99076217 0.55218562 0.74587958 1.0 Mn Mn24 1 0.25000000 -0.00000000 0.16666700 1.0 Mn Mn25 1 0.24772803 0.00453569 0.00043980 1.0 Mn Mn26 1 0.25227197 0.99546431 0.33289320 1.0 Mn Mn27 1 0.25082100 0.00169237 0.83292279 1.0 Mn Mn28 1 0.25000000 -0.00000000 0.66666700 1.0 Mn Mn29 1 0.25000000 0.50000000 0.16666700 1.0 Mn Mn30 1 0.25131607 0.49611716 0.33084282 1.0 Mn Mn31 1 0.24868393 0.50388284 0.00249018 1.0 Mn Mn32 1 0.24826737 0.50434953 0.83505542 1.0 Mn Mn33 1 0.25173263 0.49565047 0.49827758 1.0 Mn Mn34 1 0.75000000 -0.00000000 0.66666700 1.0 Mn Mn35 1 0.74772803 0.00453569 0.83289320 1.0 Mn Mn36 1 0.75082100 0.00169237 0.00041021 1.0 Mn Mn37 1 0.75000000 -0.00000000 0.16666700 1.0 Mn Mn38 1 0.74917900 0.99830763 0.33292279 1.0 Mn Mn39 1 0.24917900 0.99830763 0.50041021 1.0 Mn Mn40 1 0.74826737 0.50434953 0.99827758 1.0 Mn Mn41 1 0.75131607 0.49611716 0.50249018 1.0 Mn Mn42 1 0.75173263 0.49565047 0.33505542 1.0 Mn Mn43 1 0.74868393 0.50388284 0.83084282 1.0 Mn Mn44 1 0.75000000 0.50000000 0.66666700 1.0 Mn Mn45 1 0.75227197 0.99546431 0.50043980 1.0 O O46 1 0.01844218 0.18976576 0.18024693 1.0 O O47 1 0.00784920 0.19949369 0.51609700 1.0 O O48 1 0.00618584 0.20748420 0.84864573 1.0 O O49 1 0.00540419 0.20526930 0.32035745 1.0 O O50 1 0.00480480 0.19775237 0.65304011 1.0 O O51 1 0.00044811 0.21791994 0.98415570 1.0 O O52 1 0.28627156 0.01185316 0.25012686 1.0 O O53 1 0.27910234 0.02501467 0.58403804 1.0 O O54 1 0.28011143 0.02262669 0.91740696 1.0 O O55 1 0.21019890 0.29439008 0.01586629 1.0 O O56 1 0.20406091 0.29947331 0.15276102 1.0 O O57 1 0.21513787 0.28583741 0.34829732 1.0 O O58 1 0.21450918 0.28468243 0.48322444 1.0 O O59 1 0.20878348 0.29446238 0.81963562 1.0 O O60 1 0.20507061 0.27620350 0.68005889 1.0 O O61 1 0.19023608 0.52783012 0.24924868 1.0 O O62 1 0.19709248 0.52282967 0.91742487 1.0 O O63 1 0.21539634 0.50229847 0.57598538 1.0 O O64 1 0.30976392 0.47216988 0.08408432 1.0 O O65 1 0.30290752 0.47717033 0.41590913 1.0 O O66 1 0.28460366 0.49770153 0.75734762 1.0 O O67 1 0.50784920 0.19949369 0.31723700 1.0 O O68 1 0.50480480 0.19775237 0.18029289 1.0 O O69 1 0.50618584 0.20748420 0.98468727 1.0 O O70 1 0.51844218 0.18976576 0.65308607 1.0 O O71 1 0.50540419 0.20526930 0.51297655 1.0 O O72 1 0.50044811 0.21791994 0.84917730 1.0 O O73 1 0.28980110 0.70560992 0.31746771 1.0 O O74 1 0.29593909 0.70052669 0.18057198 1.0 O O75 1 0.29121652 0.70553762 0.51369838 1.0 O O76 1 0.28549082 0.71531757 0.85010856 1.0 O O77 1 0.28486213 0.71416259 0.98503568 1.0 O O78 1 0.29492939 0.72379650 0.65327411 1.0 O O79 1 0.21988857 0.97737331 0.41592704 1.0 O O80 1 0.21372844 0.98814684 0.08320614 1.0 O O81 1 0.22089766 0.97498533 0.74929496 1.0 O O82 1 0.77910234 0.02501467 0.24929496 1.0 O O83 1 0.78627156 0.01185316 0.58320614 1.0 O O84 1 0.78011143 0.02262669 0.91592704 1.0 O O85 1 0.70878348 0.29446238 0.01369838 1.0 O O86 1 0.71450918 0.28468243 0.35010856 1.0 O O87 1 0.70406091 0.29947331 0.68057198 1.0 O O88 1 0.71513787 0.28583741 0.48503568 1.0 O O89 1 0.70507061 0.27620350 0.15327411 1.0 O O90 1 0.71019890 0.29439008 0.81746771 1.0 O O91 1 0.48155782 0.81023424 0.15308607 1.0 O O92 1 0.49955189 0.78208006 0.34917730 1.0 O O93 1 0.49381416 0.79251580 0.48468727 1.0 O O94 1 0.49519520 0.80224763 0.68029289 1.0 O O95 1 0.49215080 0.80050631 0.81723700 1.0 O O96 1 0.49459581 0.79473070 0.01297655 1.0 O O97 1 0.71539634 0.50229847 0.25734762 1.0 O O98 1 0.69023608 0.52783012 0.58408432 1.0 O O99 1 0.69709248 0.52282967 0.91590913 1.0 O O100 1 0.78460366 0.49770153 0.07598538 1.0 O O101 1 0.80290752 0.47717033 0.41742487 1.0 O O102 1 0.80976392 0.47216988 0.74924868 1.0 O O103 1 0.78980110 0.70560992 0.51586629 1.0 O O104 1 0.79121652 0.70553762 0.31963562 1.0 O O105 1 0.79593909 0.70052669 0.65276102 1.0 O O106 1 0.79492939 0.72379650 0.18005889 1.0 O O107 1 0.78486213 0.71416259 0.84829732 1.0 O O108 1 0.78549082 0.71531757 0.98322444 1.0 O O109 1 0.71988857 0.97737331 0.41740696 1.0 O O110 1 0.72089766 0.97498533 0.08403804 1.0 O O111 1 0.71372844 0.98814684 0.75012686 1.0 O O112 1 0.99215080 0.80050631 0.01609700 1.0 O O113 1 0.99519520 0.80224763 0.15304011 1.0 O O114 1 0.99381416 0.79251580 0.34864573 1.0 O O115 1 0.99955189 0.78208006 0.48415570 1.0 O O116 1 0.98155782 0.81023424 0.68024693 1.0 O O117 1 0.99459581 0.79473070 0.82035745 1.0