# generated using pymatgen data_Ba3La3Pr3Cu9O22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55012700 _cell_length_b 8.71505683 _cell_length_c 12.17523211 _cell_angle_alpha 74.16790833 _cell_angle_beta 77.21659258 _cell_angle_gamma 72.80039545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3La3Pr3Cu9O22 _chemical_formula_sum 'Ba3 La3 Pr3 Cu9 O22' _cell_volume 534.86440549 _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 Ba Ba0 1 0.45648300 0.93330300 0.17383700 1.0 Ba Ba1 1 0.77493800 0.26762800 0.18175600 1.0 Ba Ba2 1 0.89547400 0.39571100 0.81954800 1.0 La La3 1 0.11342600 0.60481400 0.17365000 1.0 La La4 1 0.20211500 0.74835100 0.83004800 1.0 La La5 1 0.57050900 0.07170500 0.82055100 1.0 Pr Pr6 1 0.00228800 0.50010400 0.49998800 1.0 Pr Pr7 1 0.66405100 0.16687200 0.50201000 1.0 Pr Pr8 1 0.34004100 0.83000500 0.50013400 1.0 Cu Cu9 1 0.88739700 0.88201400 0.34838300 1.0 Cu Cu10 1 0.55283400 0.54673800 0.34939200 1.0 Cu Cu11 1 0.21914000 0.21381200 0.35258900 1.0 Cu Cu12 1 0.77918100 0.78150600 0.65604600 1.0 Cu Cu13 1 0.44713600 0.45295300 0.65334800 1.0 Cu Cu14 1 0.11977100 0.11806100 0.65223700 1.0 Cu Cu15 1 0.65687300 0.66569300 0.99713800 1.0 Cu Cu16 1 0.33628500 0.34623800 0.99573200 1.0 Cu Cu17 1 0.00601400 0.98798800 0.00177800 1.0 O O18 1 0.95325700 0.92680000 0.16305900 1.0 O O19 1 0.60267900 0.59970200 0.16054700 1.0 O O20 1 0.27502600 0.32007600 0.15699300 1.0 O O21 1 0.65156800 0.71308300 0.83613400 1.0 O O22 1 0.38901000 0.36829200 0.83676800 1.0 O O23 1 0.13690900 0.05651700 0.84396700 1.0 O O24 1 0.71273500 0.70969400 0.36336000 1.0 O O25 1 0.38320800 0.37166200 0.37112400 1.0 O O26 1 0.04371900 0.04077800 0.37791200 1.0 O O27 1 0.21129800 0.70434400 0.36556900 1.0 O O28 1 0.88264400 0.37963000 0.36682600 1.0 O O29 1 0.54703100 0.04249100 0.36617600 1.0 O O30 1 0.62900000 0.62263000 0.62453800 1.0 O O31 1 0.28801700 0.29499300 0.62869800 1.0 O O32 1 0.94522900 0.94869600 0.66258300 1.0 O O33 1 0.12151900 0.62952700 0.63919600 1.0 O O34 1 0.78629800 0.27784600 0.64296900 1.0 O O35 1 0.45389000 0.95695100 0.63531300 1.0 O O36 1 0.30498200 0.78279300 0.00986100 1.0 O O37 1 0.64603200 0.17782000 0.99485500 1.0 O O38 1 0.03526800 0.53039800 0.98829000 1.0 O O39 1 0.81005800 0.86511400 0.95709400 1.0