# generated using pymatgen data_Ba6Y3Cu9O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50840800 _cell_length_b 8.66022924 _cell_length_c 12.46549683 _cell_angle_alpha 74.01333750 _cell_angle_beta 77.51606924 _cell_angle_gamma 72.68004612 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Y3Cu9O20 _chemical_formula_sum 'Ba6 Y3 Cu9 O20' _cell_volume 539.87275398 _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 0.76498200 0.26434600 0.18844100 1.0 Ba Ba1 1 0.43957100 0.93941700 0.18148500 1.0 Ba Ba2 1 0.10934400 0.61011800 0.18849600 1.0 Ba Ba3 1 0.56042900 0.06058300 0.81851500 1.0 Ba Ba4 1 0.23501800 0.73565400 0.81155900 1.0 Ba Ba5 1 0.89065600 0.38988200 0.81150400 1.0 Y Y6 1 0.00000000 0.50000000 0.50000000 1.0 Y Y7 1 0.33327500 0.83324100 0.49936100 1.0 Y Y8 1 0.66672500 0.16675900 0.50063900 1.0 Cu Cu9 1 0.21270800 0.21434100 0.35791700 1.0 Cu Cu10 1 0.54884200 0.54701900 0.35762600 1.0 Cu Cu11 1 0.88107100 0.88125600 0.35658200 1.0 Cu Cu12 1 0.11892900 0.11874400 0.64341800 1.0 Cu Cu13 1 0.45115800 0.45298100 0.64237400 1.0 Cu Cu14 1 0.78729200 0.78565900 0.64208300 1.0 Cu Cu15 1 0.35673100 0.32262300 0.00000800 1.0 Cu Cu16 1 0.64326900 0.67737700 0.99999200 1.0 Cu Cu17 1 0.00000000 0.00000000 0.00000000 1.0 O O18 1 0.37352300 0.37344600 0.37874900 1.0 O O19 1 0.70728300 0.70691700 0.37926200 1.0 O O20 1 0.04023200 0.04050400 0.37927000 1.0 O O21 1 0.29271700 0.29308300 0.62073800 1.0 O O22 1 0.62647700 0.62655400 0.62125100 1.0 O O23 1 0.95976800 0.95949600 0.62073000 1.0 O O24 1 0.87401400 0.37328400 0.37922200 1.0 O O25 1 0.20735900 0.70646600 0.37825100 1.0 O O26 1 0.54010200 0.04157700 0.37845400 1.0 O O27 1 0.79264100 0.29353400 0.62174900 1.0 O O28 1 0.12598600 0.62671600 0.62077800 1.0 O O29 1 0.45989800 0.95842300 0.62154600 1.0 O O30 1 0.26002300 0.29379600 0.15249300 1.0 O O31 1 0.63841200 0.60451200 0.15254100 1.0 O O32 1 0.94670800 0.94672700 0.15988000 1.0 O O33 1 0.05329200 0.05327300 0.84012000 1.0 O O34 1 0.36158800 0.39548800 0.84745900 1.0 O O35 1 0.73997700 0.70620400 0.84750700 1.0 O O36 1 0.68056300 0.16299100 0.00000100 1.0 O O37 1 0.31943700 0.83700900 0.99999900 1.0