# generated using pymatgen data_Ba4Y2Cu6NiO15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88516201 _cell_length_b 7.83704601 _cell_length_c 25.80475371 _cell_angle_alpha 81.26340035 _cell_angle_beta 85.68065369 _cell_angle_gamma 89.99324522 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Y2Cu6NiO15 _chemical_formula_sum 'Ba8 Y4 Cu12 Ni2 O30' _cell_volume 774.33480634 _cell_formula_units_Z 2 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 0.31182800 0.06192300 0.37634500 1.0 Ba Ba1 1 0.31183000 0.56173800 0.37634500 1.0 Ba Ba2 1 0.68841800 0.93845800 0.62311800 1.0 Ba Ba3 1 0.68841800 0.43838600 0.62311900 1.0 Ba Ba4 1 0.45819800 0.20810700 0.08368200 1.0 Ba Ba5 1 0.45819900 0.70821700 0.08368200 1.0 Ba Ba6 1 0.54210100 0.79210400 0.91580200 1.0 Ba Ba7 1 0.54209800 0.29209200 0.91580200 1.0 Y Y8 1 0.38476500 0.13477900 0.23049000 1.0 Y Y9 1 0.38476400 0.63473300 0.23049000 1.0 Y Y10 1 0.61589200 0.86591000 0.76821100 1.0 Y Y11 1 0.61589300 0.36585800 0.76821100 1.0 Cu Cu12 1 0.22901300 0.22907700 0.54181700 1.0 Cu Cu13 1 0.22900900 0.72907400 0.54182600 1.0 Cu Cu14 1 0.99999300 0.99999300 0.00001300 1.0 Cu Cu15 1 0.91841500 0.41839900 0.16328300 1.0 Cu Cu16 1 0.91843300 0.91842600 0.16322600 1.0 Cu Cu17 1 0.08142800 0.08142500 0.83705200 1.0 Cu Cu18 1 0.08141100 0.58140700 0.83709800 1.0 Cu Cu19 1 0.77017500 0.27013300 0.45982000 1.0 Cu Cu20 1 0.77018000 0.77013900 0.45980600 1.0 Cu Cu21 1 0.99997400 0.49998000 0.00003900 1.0 Cu Cu22 1 0.85127900 0.35133500 0.29736800 1.0 Cu Cu23 1 0.85128200 0.85134200 0.29735500 1.0 Ni Ni24 1 0.15124700 0.15124500 0.69746500 1.0 Ni Ni25 1 0.15125000 0.65125200 0.69745500 1.0 O O26 1 0.85576000 0.10566500 0.28837200 1.0 O O27 1 0.85576200 0.60600700 0.28837200 1.0 O O28 1 0.14419600 0.89408600 0.71173600 1.0 O O29 1 0.14419600 0.39412300 0.71173500 1.0 O O30 1 0.26625100 0.26622600 0.46756400 1.0 O O31 1 0.26624300 0.76621800 0.46758000 1.0 O O32 1 0.73279400 0.23283300 0.53433700 1.0 O O33 1 0.73279900 0.73284000 0.53432600 1.0 O O34 1 0.80646300 0.30639700 0.38725100 1.0 O O35 1 0.80646300 0.80639700 0.38725200 1.0 O O36 1 0.19212300 0.19218500 0.61561300 1.0 O O37 1 0.19213100 0.69219400 0.61559600 1.0 O O38 1 0.96306800 0.46305000 0.07384000 1.0 O O39 1 0.96307200 0.96305100 0.07383400 1.0 O O40 1 0.03684800 0.03685600 0.92633600 1.0 O O41 1 0.03685100 0.53686200 0.92632900 1.0 O O42 1 0.35658100 0.35666800 0.28671500 1.0 O O43 1 0.35658200 0.85667000 0.28671000 1.0 O O44 1 0.64340500 0.14333600 0.71327000 1.0 O O45 1 0.64340300 0.64333700 0.71327100 1.0 O O46 1 0.41274900 0.41267900 0.17459300 1.0 O O47 1 0.41275000 0.91268400 0.17458200 1.0 O O48 1 0.58713600 0.08720100 0.82565500 1.0 O O49 1 0.58712500 0.58718900 0.82568000 1.0 O O50 1 0.91230200 0.16237300 0.17549100 1.0 O O51 1 0.91230400 0.66212000 0.17549000 1.0 O O52 1 0.08762400 0.83765500 0.82468300 1.0 O O53 1 0.08762100 0.33766400 0.82468200 1.0 O O54 1 0.99995100 0.24996200 0.00009400 1.0 O O55 1 0.99995000 0.74994100 0.00009500 1.0