# generated using pymatgen data_Ba10PrY4(CuO2)20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90250000 _cell_length_b 3.90103300 _cell_length_c 68.38608608 _cell_angle_alpha 88.36558138 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10PrY4(CuO2)20 _chemical_formula_sum 'Ba10 Pr1 Y4 Cu20 O40' _cell_volume 1040.67125999 _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 0.50000000 0.92713200 0.14573600 1.0 Ba Ba1 1 0.50000000 0.32715000 0.34570000 1.0 Ba Ba2 1 0.50000000 0.72715700 0.54568600 1.0 Ba Ba3 1 0.50000000 0.12713000 0.74574000 1.0 Ba Ba4 1 0.50000000 0.52730300 0.94539300 1.0 Ba Ba5 1 0.50000000 0.47269700 0.05460700 1.0 Ba Ba6 1 0.50000000 0.87287000 0.25426000 1.0 Ba Ba7 1 0.50000000 0.27284300 0.45431400 1.0 Ba Ba8 1 0.50000000 0.67285000 0.65430000 1.0 Ba Ba9 1 0.50000000 0.07286800 0.85426400 1.0 Pr Pr10 1 0.50000000 0.50000000 0.00000000 1.0 Y Y11 1 0.50000000 0.90000500 0.19999100 1.0 Y Y12 1 0.50000000 0.30000200 0.39999600 1.0 Y Y13 1 0.50000000 0.69999800 0.60000400 1.0 Y Y14 1 0.50000000 0.09999500 0.80000900 1.0 Cu Cu15 1 0.00000000 0.95736900 0.08526100 1.0 Cu Cu16 1 0.00000000 0.35740600 0.28518900 1.0 Cu Cu17 1 0.00000000 0.75740500 0.48519000 1.0 Cu Cu18 1 0.00000000 0.15740800 0.68518400 1.0 Cu Cu19 1 0.00000000 0.55740400 0.88519200 1.0 Cu Cu20 1 0.00000000 0.44259600 0.11480800 1.0 Cu Cu21 1 0.00000000 0.84259200 0.31481600 1.0 Cu Cu22 1 0.00000000 0.24259500 0.51481000 1.0 Cu Cu23 1 0.00000000 0.64259400 0.71481100 1.0 Cu Cu24 1 0.00000000 0.04263100 0.91473900 1.0 Cu Cu25 1 0.00000000 0.98734200 0.02531600 1.0 Cu Cu26 1 0.00000000 0.38777700 0.22444600 1.0 Cu Cu27 1 0.00000000 0.78778100 0.42443800 1.0 Cu Cu28 1 0.00000000 0.18778200 0.62443600 1.0 Cu Cu29 1 0.00000000 0.58776800 0.82446400 1.0 Cu Cu30 1 0.00000000 0.41223200 0.17553600 1.0 Cu Cu31 1 0.00000000 0.81221800 0.37556400 1.0 Cu Cu32 1 0.00000000 0.21221900 0.57556200 1.0 Cu Cu33 1 0.00000000 0.61222300 0.77555400 1.0 Cu Cu34 1 0.00000000 0.01265800 0.97468400 1.0 O O35 1 0.00000000 0.91049100 0.17901800 1.0 O O36 1 0.00000000 0.31049400 0.37901100 1.0 O O37 1 0.00000000 0.71049700 0.57900500 1.0 O O38 1 0.00000000 0.11049100 0.77901800 1.0 O O39 1 0.00000000 0.51123700 0.97752600 1.0 O O40 1 0.00000000 0.48876300 0.02247400 1.0 O O41 1 0.00000000 0.88950900 0.22098200 1.0 O O42 1 0.00000000 0.28950300 0.42099500 1.0 O O43 1 0.00000000 0.68950600 0.62098900 1.0 O O44 1 0.00000000 0.08950900 0.82098200 1.0 O O45 1 0.00000000 0.94359200 0.11281500 1.0 O O46 1 0.00000000 0.34360100 0.31279800 1.0 O O47 1 0.00000000 0.74359200 0.51281700 1.0 O O48 1 0.00000000 0.14360100 0.71279800 1.0 O O49 1 0.00000000 0.54363000 0.91274000 1.0 O O50 1 0.00000000 0.45637000 0.08726000 1.0 O O51 1 0.00000000 0.85639900 0.28720200 1.0 O O52 1 0.00000000 0.25640800 0.48718300 1.0 O O53 1 0.00000000 0.65639900 0.68720200 1.0 O O54 1 0.00000000 0.05640800 0.88718500 1.0 O O55 1 0.50000000 0.98871200 0.02257500 1.0 O O56 1 0.50000000 0.38944700 0.22110600 1.0 O O57 1 0.50000000 0.78944100 0.42111800 1.0 O O58 1 0.50000000 0.18944000 0.62112000 1.0 O O59 1 0.50000000 0.58944600 0.82110800 1.0 O O60 1 0.50000000 0.41055400 0.17889200 1.0 O O61 1 0.50000000 0.81056000 0.37888000 1.0 O O62 1 0.50000000 0.21055900 0.57888200 1.0 O O63 1 0.50000000 0.61055300 0.77889400 1.0 O O64 1 0.50000000 0.01128800 0.97742500 1.0 O O65 1 0.00000000 0.97085500 0.05829100 1.0 O O66 1 0.00000000 0.37096700 0.25806600 1.0 O O67 1 0.00000000 0.77097100 0.45805800 1.0 O O68 1 0.00000000 0.17096300 0.65807500 1.0 O O69 1 0.00000000 0.57097000 0.85806000 1.0 O O70 1 0.00000000 0.42903000 0.14194000 1.0 O O71 1 0.00000000 0.82903700 0.34192500 1.0 O O72 1 0.00000000 0.22902900 0.54194200 1.0 O O73 1 0.00000000 0.62903300 0.74193400 1.0 O O74 1 0.00000000 0.02914500 0.94170900 1.0