# generated using pymatgen data_Ca9Pr11Mn20O60 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44390710 _cell_length_b 5.47652610 _cell_length_c 38.42774800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.02231976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Pr11Mn20O60 _chemical_formula_sum 'Ca9 Pr11 Mn20 O60' _cell_volume 1145.67323896 _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 0.49115000 0.46013000 0.34940700 1.0 Ca Ca1 1 0.49115000 0.46013000 0.15059300 1.0 Ca Ca2 1 0.51041400 0.53792300 0.65052700 1.0 Ca Ca3 1 0.51041400 0.53792300 0.84947300 1.0 Ca Ca4 1 0.99123400 0.03981600 0.25000000 1.0 Ca Ca5 1 0.99016500 0.03793000 0.05095300 1.0 Ca Ca6 1 0.98966800 0.03784000 0.65036100 1.0 Ca Ca7 1 0.99016500 0.03793000 0.44904700 1.0 Ca Ca8 1 0.98966800 0.03784000 0.84963900 1.0 Pr Pr9 1 0.00834400 0.96398500 0.15044800 1.0 Pr Pr10 1 0.00834400 0.96398500 0.34955200 1.0 Pr Pr11 1 0.00725300 0.96539400 0.55050400 1.0 Pr Pr12 1 0.00661800 0.96436500 0.75000000 1.0 Pr Pr13 1 0.00725300 0.96539400 0.94949600 1.0 Pr Pr14 1 0.49345000 0.46491600 0.55101900 1.0 Pr Pr15 1 0.49393500 0.46440200 0.75000000 1.0 Pr Pr16 1 0.49345000 0.46491600 0.94898100 1.0 Pr Pr17 1 0.50828400 0.53530200 0.05126800 1.0 Pr Pr18 1 0.50815300 0.53589500 0.25000000 1.0 Pr Pr19 1 0.50828400 0.53530200 0.44873200 1.0 Mn Mn20 1 0.50029600 0.00119300 0.10050700 1.0 Mn Mn21 1 0.50003800 0.00048600 0.00090500 1.0 Mn Mn22 1 0.50047500 0.00143400 0.29972900 1.0 Mn Mn23 1 0.50050200 0.99915100 0.60190400 1.0 Mn Mn24 1 0.50050200 0.99915100 0.89809600 1.0 Mn Mn25 1 0.50047500 0.00143400 0.20027100 1.0 Mn Mn26 1 0.50029600 0.00119300 0.39949300 1.0 Mn Mn27 1 0.50003800 0.00048600 0.49909500 1.0 Mn Mn28 1 0.50054900 0.99896000 0.69863800 1.0 Mn Mn29 1 0.50054900 0.99896000 0.80136200 1.0 Mn Mn30 1 0.00082600 0.49796500 0.10065000 1.0 Mn Mn31 1 0.99993700 0.49918800 0.00082100 1.0 Mn Mn32 1 0.00024200 0.49868400 0.20012900 1.0 Mn Mn33 1 0.00024200 0.49868400 0.29987100 1.0 Mn Mn34 1 0.00082600 0.49796500 0.39935000 1.0 Mn Mn35 1 0.99993700 0.49918800 0.49917900 1.0 Mn Mn36 1 0.99903800 0.49971200 0.60190300 1.0 Mn Mn37 1 0.99990000 0.49892500 0.69863600 1.0 Mn Mn38 1 0.99990000 0.49892500 0.80136400 1.0 Mn Mn39 1 0.99903800 0.49971200 0.89809700 1.0 O O40 1 0.07125400 0.48206200 0.05033800 1.0 O O41 1 0.07142100 0.48415300 0.25000000 1.0 O O42 1 0.07125400 0.48206200 0.44966200 1.0 O O43 1 0.07963100 0.47819700 0.65021400 1.0 O O44 1 0.07963100 0.47819700 0.84978600 1.0 O O45 1 0.21948100 0.21892500 0.19254300 1.0 O O46 1 0.22181700 0.22126300 0.59178900 1.0 O O47 1 0.21939500 0.21798700 0.39209100 1.0 O O48 1 0.22271100 0.22130500 0.79166200 1.0 O O49 1 0.22417800 0.22315800 0.99159300 1.0 O O50 1 0.21939500 0.21798700 0.10790900 1.0 O O51 1 0.21948100 0.21892500 0.30745700 1.0 O O52 1 0.22417800 0.22315800 0.50840700 1.0 O O53 1 0.22271100 0.22130500 0.70833800 1.0 O O54 1 0.22181700 0.22126300 0.90821100 1.0 O O55 1 0.28306200 0.71695500 0.19200800 1.0 O O56 1 0.28412400 0.71564400 0.10836200 1.0 O O57 1 0.28306200 0.71695500 0.30799200 1.0 O O58 1 0.28412400 0.71564400 0.39163800 1.0 O O59 1 0.27678300 0.72226500 0.59181900 1.0 O O60 1 0.28003500 0.71944600 0.50777600 1.0 O O61 1 0.27784900 0.72117800 0.70833100 1.0 O O62 1 0.27784900 0.72117800 0.79166900 1.0 O O63 1 0.27678300 0.72226500 0.90818100 1.0 O O64 1 0.28003500 0.71944600 0.99222400 1.0 O O65 1 0.42277500 0.98707600 0.05033400 1.0 O O66 1 0.42355500 0.98642900 0.25000000 1.0 O O67 1 0.42039900 0.97824300 0.65021900 1.0 O O68 1 0.42277500 0.98707600 0.44966600 1.0 O O69 1 0.42039900 0.97824300 0.84978100 1.0 O O70 1 0.57160900 0.01567200 0.15032500 1.0 O O71 1 0.57160900 0.01567200 0.34967500 1.0 O O72 1 0.56901200 0.00766000 0.55010500 1.0 O O73 1 0.56807900 0.00794100 0.75000000 1.0 O O74 1 0.56901200 0.00766000 0.94989500 1.0 O O75 1 0.72024300 0.28004800 0.09263500 1.0 O O76 1 0.71621500 0.28398400 0.00711400 1.0 O O77 1 0.71922400 0.28147300 0.29229300 1.0 O O78 1 0.71922400 0.28147300 0.20770700 1.0 O O79 1 0.71621500 0.28398400 0.49288600 1.0 O O80 1 0.71351700 0.28631900 0.60736400 1.0 O O81 1 0.72024300 0.28004800 0.40736500 1.0 O O82 1 0.71502600 0.28478400 0.69278000 1.0 O O83 1 0.71351700 0.28631900 0.89263600 1.0 O O84 1 0.71502600 0.28478400 0.80722000 1.0 O O85 1 0.78319800 0.78247500 0.09209900 1.0 O O86 1 0.78034000 0.78137300 0.49171500 1.0 O O87 1 0.78541900 0.78479900 0.69276800 1.0 O O88 1 0.78329300 0.78339200 0.29174000 1.0 O O89 1 0.78329300 0.78339200 0.20826000 1.0 O O90 1 0.78548700 0.78598200 0.89260400 1.0 O O91 1 0.78034000 0.78137300 0.00828500 1.0 O O92 1 0.78548700 0.78598200 0.60739600 1.0 O O93 1 0.78319800 0.78247500 0.40790100 1.0 O O94 1 0.78541900 0.78479900 0.80723200 1.0 O O95 1 0.92366000 0.51356100 0.15032000 1.0 O O96 1 0.93204100 0.51013000 0.55011900 1.0 O O97 1 0.93238900 0.50804600 0.75000000 1.0 O O98 1 0.92366000 0.51356100 0.34968000 1.0 O O99 1 0.93204100 0.51013000 0.94988100 1.0