# generated using pymatgen data_Ba10Y5(Cu5O11)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50592600 _cell_length_b 13.15661644 _cell_length_c 13.97057863 _cell_angle_alpha 114.20864941 _cell_angle_beta 100.05324459 _cell_angle_gamma 90.54419678 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Y5(Cu5O11)3 _chemical_formula_sum 'Ba10 Y5 Cu15 O33' _cell_volume 905.13717564 _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 0.14625700 0.19002200 0.27246700 1.0 Ba Ba1 1 0.34411100 0.19094100 0.67368500 1.0 Ba Ba2 1 0.53648600 0.18191700 0.07276400 1.0 Ba Ba3 1 0.73215200 0.19061900 0.47891400 1.0 Ba Ba4 1 0.92980500 0.19000600 0.87957800 1.0 Ba Ba5 1 0.26784800 0.80938100 0.52108600 1.0 Ba Ba6 1 0.46351400 0.81808300 0.92723600 1.0 Ba Ba7 1 0.65588900 0.80905900 0.32631500 1.0 Ba Ba8 1 0.85374300 0.80997800 0.72753300 1.0 Ba Ba9 1 0.07019500 0.80999400 0.12042200 1.0 Y Y10 1 0.19976900 0.49986200 0.40006200 1.0 Y Y11 1 0.80023100 0.50013800 0.59993800 1.0 Y Y12 1 0.40031700 0.50171000 0.80097500 1.0 Y Y13 1 0.00000000 0.50000000 0.00000000 1.0 Y Y14 1 0.59968300 0.49829000 0.19902500 1.0 Cu Cu15 1 0.07149800 0.35726500 0.14279700 1.0 Cu Cu16 1 0.67376200 0.35968500 0.34390300 1.0 Cu Cu17 1 0.27035400 0.36022800 0.54361900 1.0 Cu Cu18 1 0.87377500 0.36042800 0.74493500 1.0 Cu Cu19 1 0.46995500 0.35947200 0.94360300 1.0 Cu Cu20 1 0.12622500 0.63957200 0.25506500 1.0 Cu Cu21 1 0.72964600 0.63977200 0.45638100 1.0 Cu Cu22 1 0.32623800 0.64031500 0.65609700 1.0 Cu Cu23 1 0.92850200 0.64273500 0.85720300 1.0 Cu Cu24 1 0.53004500 0.64052800 0.05639700 1.0 Cu Cu25 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu26 1 0.58162300 0.99983300 0.19491100 1.0 Cu Cu27 1 0.21213300 0.99997700 0.40445000 1.0 Cu Cu28 1 0.78786700 0.00002300 0.59555000 1.0 Cu Cu29 1 0.41837700 0.00016700 0.80508900 1.0 O O30 1 0.87681800 0.38075500 0.25217100 1.0 O O31 1 0.47673500 0.38014900 0.45212100 1.0 O O32 1 0.07594600 0.38011900 0.65201200 1.0 O O33 1 0.67555900 0.38020500 0.85214900 1.0 O O34 1 0.27531300 0.38077000 0.05234900 1.0 O O35 1 0.92405400 0.61988100 0.34798800 1.0 O O36 1 0.52326500 0.61985100 0.54787900 1.0 O O37 1 0.12318200 0.61924500 0.74782900 1.0 O O38 1 0.72468700 0.61923000 0.94765100 1.0 O O39 1 0.32444100 0.61979500 0.14785100 1.0 O O40 1 0.03205100 0.15904500 0.06363900 1.0 O O41 1 0.65412800 0.15237200 0.26831100 1.0 O O42 1 0.20487900 0.15213500 0.45317700 1.0 O O43 1 0.85573500 0.15199800 0.66843700 1.0 O O44 1 0.40705000 0.15230700 0.85365300 1.0 O O45 1 0.14426500 0.84800200 0.33156300 1.0 O O46 1 0.79512100 0.84786500 0.54682300 1.0 O O47 1 0.34587200 0.84762800 0.73168900 1.0 O O48 1 0.96794900 0.84095500 0.93636100 1.0 O O49 1 0.59295000 0.84769300 0.14634700 1.0 O O50 1 0.37677200 0.37809400 0.25180300 1.0 O O51 1 0.97610100 0.37943800 0.45179300 1.0 O O52 1 0.57540700 0.37679100 0.65083800 1.0 O O53 1 0.17615400 0.38003600 0.85185500 1.0 O O54 1 0.77402800 0.37720200 0.05037500 1.0 O O55 1 0.42459300 0.62320900 0.34916200 1.0 O O56 1 0.02389900 0.62056200 0.54820700 1.0 O O57 1 0.62322800 0.62190600 0.74819700 1.0 O O58 1 0.22597200 0.62279800 0.94962500 1.0 O O59 1 0.82384600 0.61996400 0.14814500 1.0 O O60 1 0.28857200 0.99999500 0.09907800 1.0 O O61 1 0.50000000 0.00000000 0.50000000 1.0 O O62 1 0.71142800 0.00000500 0.90092200 1.0