# generated using pymatgen data_Na9Mn21O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24817757 _cell_length_b 6.24817757 _cell_length_c 21.46067966 _cell_angle_alpha 82.71619188 _cell_angle_beta 82.71619188 _cell_angle_gamma 94.77222279 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na9Mn21O40 _chemical_formula_sum 'Na9 Mn21 O40' _cell_volume 820.14542725 _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 Na Na0 1 0.76317800 0.43008800 0.80161500 1.0 Na Na1 1 0.36467800 0.03549500 0.59987900 1.0 Na Na2 1 0.43627100 0.56372900 0.50000000 1.0 Na Na3 1 0.83516400 0.96243800 0.70023800 1.0 Na Na4 1 0.03756200 0.16483600 0.29976200 1.0 Na Na5 1 0.96450500 0.63532200 0.40012100 1.0 Na Na6 1 0.56991200 0.23682200 0.19838500 1.0 Na Na7 1 0.63414200 0.77360300 0.10184900 1.0 Na Na8 1 0.22639700 0.36585800 0.89815100 1.0 Mn Mn9 1 0.00274100 0.89306700 0.85042100 1.0 Mn Mn10 1 0.09983600 0.49876600 0.65008000 1.0 Mn Mn11 1 0.29999500 0.69904700 0.74956600 1.0 Mn Mn12 1 0.50023700 0.89703300 0.84955700 1.0 Mn Mn13 1 0.29907700 0.19957000 0.75033700 1.0 Mn Mn14 1 0.60024500 0.49848600 0.65025200 1.0 Mn Mn15 1 0.19995800 0.09914700 0.45028700 1.0 Mn Mn16 1 0.90085300 0.80004200 0.54971300 1.0 Mn Mn17 1 0.50123400 0.90016400 0.34992000 1.0 Mn Mn18 1 0.10296700 0.49976300 0.15044300 1.0 Mn Mn19 1 0.89995500 0.29888400 0.55019300 1.0 Mn Mn20 1 0.70111600 0.10004500 0.44980700 1.0 Mn Mn21 1 0.30095300 0.70000500 0.25043400 1.0 Mn Mn22 1 0.50151400 0.39975500 0.34974800 1.0 Mn Mn23 1 0.80043000 0.70092300 0.24966300 1.0 Mn Mn24 1 0.10693300 0.99725900 0.14957900 1.0 Mn Mn25 1 0.17238800 0.82761200 0.00000000 1.0 Mn Mn26 1 0.69480600 0.59913700 0.95081400 1.0 Mn Mn27 1 0.40086300 0.30519400 0.04918600 1.0 Mn Mn28 1 0.89615900 0.30443100 0.04905700 1.0 Mn Mn29 1 0.69556900 0.10384100 0.95094300 1.0 O O30 1 0.07854300 0.46920100 0.74230700 1.0 O O31 1 0.27029800 0.67771300 0.84108800 1.0 O O32 1 0.27236200 0.09874000 0.84325000 1.0 O O33 1 0.09889600 0.92908200 0.75680400 1.0 O O34 1 0.50151200 0.46986800 0.74327200 1.0 O O35 1 0.52113900 0.93010100 0.75772200 1.0 O O36 1 0.12037300 0.52946400 0.55801500 1.0 O O37 1 0.33046500 0.71974900 0.65763200 1.0 O O38 1 0.87091200 0.69982000 0.64319100 1.0 O O39 1 0.69900600 0.52792400 0.55712700 1.0 O O40 1 0.10086400 0.06991000 0.54331600 1.0 O O41 1 0.32916900 0.29789500 0.65716800 1.0 O O42 1 0.67961000 0.06823500 0.54237900 1.0 O O43 1 0.86993700 0.27782900 0.64228200 1.0 O O44 1 0.28025100 0.66953500 0.34236800 1.0 O O45 1 0.06989900 0.47886100 0.24227800 1.0 O O46 1 0.47053600 0.87962700 0.44198500 1.0 O O47 1 0.53013200 0.49848800 0.25672800 1.0 O O48 1 0.93009000 0.89913600 0.45668400 1.0 O O49 1 0.07091800 0.90110400 0.24319600 1.0 O O50 1 0.47207600 0.30099400 0.44287300 1.0 O O51 1 0.70210500 0.67083100 0.34283200 1.0 O O52 1 0.30018000 0.12908800 0.35680900 1.0 O O53 1 0.53079900 0.92145700 0.25769300 1.0 O O54 1 0.93176500 0.32039000 0.45762100 1.0 O O55 1 0.32228700 0.72970200 0.15891200 1.0 O O56 1 0.72217100 0.13006300 0.35771800 1.0 O O57 1 0.13582200 0.53431300 0.05557800 1.0 O O58 1 0.15152200 0.07288700 0.05464900 1.0 O O59 1 0.65397000 0.51599800 0.04313300 1.0 O O60 1 0.90126000 0.72763800 0.15675000 1.0 O O61 1 0.30167900 0.27123700 0.14258300 1.0 O O62 1 0.46568700 0.86417800 0.94442200 1.0 O O63 1 0.88855600 0.26508900 0.14111200 1.0 O O64 1 0.66192900 0.08530300 0.04287400 1.0 O O65 1 0.48400200 0.34603000 0.95686700 1.0 O O66 1 0.92711300 0.84847800 0.94535100 1.0 O O67 1 0.72876300 0.69832100 0.85741700 1.0 O O68 1 0.91469700 0.33807100 0.95712600 1.0 O O69 1 0.73491100 0.11144400 0.85888800 1.0