# generated using pymatgen data_Ba8Y3Lu(CuO2)16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88752719 _cell_length_b 3.89032547 _cell_length_c 54.99096732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Y3Lu(CuO2)16 _chemical_formula_sum 'Ba8 Y3 Lu1 Cu16 O32' _cell_volume 831.66942438 _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 0.50000000 0.06761593 1.0 Ba Ba1 1 0.50000000 -0.00000000 0.31782664 1.0 Ba Ba2 1 0.50000000 0.50000000 0.56779593 1.0 Ba Ba3 1 0.50000000 0.00000000 0.81777248 1.0 Ba Ba4 1 0.50000000 0.00000000 0.18222752 1.0 Ba Ba5 1 0.50000000 0.50000000 0.43220407 1.0 Ba Ba6 1 0.50000000 0.00000000 0.68217336 1.0 Ba Ba7 1 0.50000000 0.50000000 0.93238407 1.0 Y Y8 1 0.50000000 0.00000000 0.25001704 1.0 Y Y9 1 0.50000000 0.50000000 0.50000000 1.0 Y Y10 1 0.50000000 0.00000000 0.74998296 1.0 Lu Lu11 1 0.50000000 0.50000000 -0.00000000 1.0 Cu Cu12 1 0.00000000 0.00000000 0.03022364 1.0 Cu Cu13 1 0.00000000 0.50000000 0.28077864 1.0 Cu Cu14 1 -0.00000000 -0.00000000 0.53075927 1.0 Cu Cu15 1 0.00000000 0.50000000 0.78074890 1.0 Cu Cu16 1 -0.00000000 0.50000000 0.21925110 1.0 Cu Cu17 1 0.00000000 0.00000000 0.46924073 1.0 Cu Cu18 1 0.00000000 0.50000000 0.71922136 1.0 Cu Cu19 1 -0.00000000 -0.00000000 0.96977636 1.0 Cu Cu20 1 -0.00000000 -0.00000000 0.10614345 1.0 Cu Cu21 1 -0.00000000 0.50000000 0.35619503 1.0 Cu Cu22 1 0.00000000 0.00000000 0.60619285 1.0 Cu Cu23 1 -0.00000000 0.50000000 0.85620516 1.0 Cu Cu24 1 -0.00000000 0.50000000 0.14379484 1.0 Cu Cu25 1 0.00000000 -0.00000000 0.39380715 1.0 Cu Cu26 1 0.00000000 0.50000000 0.64380497 1.0 Cu Cu27 1 -0.00000000 0.00000000 0.89385655 1.0 O O28 1 0.00000000 0.50000000 0.10927015 1.0 O O29 1 -0.00000000 0.00000000 0.35931359 1.0 O O30 1 -0.00000000 0.50000000 0.60932285 1.0 O O31 1 0.00000000 0.00000000 0.85935171 1.0 O O32 1 0.00000000 0.00000000 0.14064829 1.0 O O33 1 0.00000000 0.50000000 0.39067715 1.0 O O34 1 0.00000000 0.00000000 0.64068641 1.0 O O35 1 0.00000000 0.50000000 0.89072985 1.0 O O36 1 0.00000000 -0.00000000 0.07245495 1.0 O O37 1 -0.00000000 0.50000000 0.32258738 1.0 O O38 1 0.00000000 -0.00000000 0.57259403 1.0 O O39 1 -0.00000000 0.50000000 0.82259450 1.0 O O40 1 -0.00000000 0.50000000 0.17740550 1.0 O O41 1 0.00000000 0.00000000 0.42740597 1.0 O O42 1 -0.00000000 0.50000000 0.67741262 1.0 O O43 1 0.00000000 -0.00000000 0.92754505 1.0 O O44 1 0.50000000 0.00000000 0.02516711 1.0 O O45 1 0.50000000 0.50000000 0.27619606 1.0 O O46 1 0.50000000 0.00000000 0.52619328 1.0 O O47 1 0.50000000 0.50000000 0.77619470 1.0 O O48 1 0.50000000 0.50000000 0.22380530 1.0 O O49 1 0.50000000 -0.00000000 0.47380672 1.0 O O50 1 0.50000000 0.50000000 0.72380394 1.0 O O51 1 0.50000000 -0.00000000 0.97483289 1.0 O O52 1 0.00000000 0.50000000 0.02501200 1.0 O O53 1 -0.00000000 0.00000000 0.27603559 1.0 O O54 1 0.00000000 0.50000000 0.52603300 1.0 O O55 1 -0.00000000 -0.00000000 0.77603207 1.0 O O56 1 -0.00000000 0.00000000 0.22396793 1.0 O O57 1 -0.00000000 0.50000000 0.47396700 1.0 O O58 1 -0.00000000 0.00000000 0.72396441 1.0 O O59 1 0.00000000 0.50000000 0.97498800 1.0