# generated using pymatgen data_BaLu2CuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62016600 _cell_length_b 7.09310800 _cell_length_c 12.05655700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLu2CuO5 _chemical_formula_sum 'Ba4 Lu8 Cu4 O20' _cell_volume 480.62794637 _cell_formula_units_Z 4 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 0.25000000 0.92941100 0.90367500 1.0 Ba Ba1 1 0.75000000 0.07058900 0.09632500 1.0 Ba Ba2 1 0.75000000 0.42941100 0.59632500 1.0 Ba Ba3 1 0.25000000 0.57058900 0.40367500 1.0 Lu Lu4 1 0.25000000 0.11490500 0.28686600 1.0 Lu Lu5 1 0.75000000 0.88509500 0.71313400 1.0 Lu Lu6 1 0.75000000 0.61490500 0.21313400 1.0 Lu Lu7 1 0.25000000 0.38509500 0.78686600 1.0 Lu Lu8 1 0.25000000 0.39807100 0.07382700 1.0 Lu Lu9 1 0.75000000 0.60192900 0.92617300 1.0 Lu Lu10 1 0.75000000 0.89807100 0.42617300 1.0 Lu Lu11 1 0.25000000 0.10192900 0.57382700 1.0 Cu Cu12 1 0.25000000 0.71728800 0.66060300 1.0 Cu Cu13 1 0.75000000 0.28271200 0.33939700 1.0 Cu Cu14 1 0.75000000 0.21728800 0.83939700 1.0 Cu Cu15 1 0.25000000 0.78271200 0.16060300 1.0 O O16 1 0.99774300 0.15842100 0.43190000 1.0 O O17 1 0.49774300 0.84157900 0.56810000 1.0 O O18 1 0.00225700 0.65842100 0.06810000 1.0 O O19 1 0.50225700 0.34157900 0.93190000 1.0 O O20 1 0.00225700 0.84157900 0.56810000 1.0 O O21 1 0.50225700 0.15842100 0.43190000 1.0 O O22 1 0.99774300 0.34157900 0.93190000 1.0 O O23 1 0.49774300 0.65842100 0.06810000 1.0 O O24 1 0.50132300 0.36043500 0.22803300 1.0 O O25 1 0.00132300 0.63956500 0.77196700 1.0 O O26 1 0.49867700 0.86043500 0.27196700 1.0 O O27 1 0.99867700 0.13956500 0.72803300 1.0 O O28 1 0.49867700 0.63956500 0.77196700 1.0 O O29 1 0.99867700 0.36043500 0.22803300 1.0 O O30 1 0.50132300 0.13956500 0.72803300 1.0 O O31 1 0.00132300 0.86043500 0.27196700 1.0 O O32 1 0.25000000 0.09010500 0.10185300 1.0 O O33 1 0.75000000 0.90989500 0.89814700 1.0 O O34 1 0.75000000 0.59010500 0.39814700 1.0 O O35 1 0.25000000 0.40989500 0.60185300 1.0