# generated using pymatgen data_Ba6Pr2Y(CuO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.54606284 _cell_length_b 14.54606284 _cell_length_c 5.54686637 _cell_angle_alpha 84.35993122 _cell_angle_beta 84.35993122 _cell_angle_gamma 144.85143116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Pr2Y(CuO2)12 _chemical_formula_sum 'Ba6 Pr2 Y1 Cu12 O24' _cell_volume 638.87564625 _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 0.13520800 0.86479200 0.50000000 1.0 Ba Ba1 1 0.47038800 0.19731900 0.83343000 1.0 Ba Ba2 1 0.80268100 0.52961200 0.16657000 1.0 Ba Ba3 1 0.19731900 0.47038800 0.83343000 1.0 Ba Ba4 1 0.52961200 0.80268100 0.16657000 1.0 Ba Ba5 1 0.86479200 0.13520800 0.50000000 1.0 Pr Pr6 1 0.66753400 0.66753400 0.16629000 1.0 Pr Pr7 1 0.33246600 0.33246600 0.83371000 1.0 Y Y8 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu9 1 0.26916800 0.39518600 0.33410100 1.0 Cu Cu10 1 0.60481400 0.73083200 0.66589900 1.0 Cu Cu11 1 0.93748400 0.06251600 0.00000000 1.0 Cu Cu12 1 0.73083200 0.60481400 0.66589900 1.0 Cu Cu13 1 0.06251600 0.93748400 0.00000000 1.0 Cu Cu14 1 0.39518600 0.26916800 0.33410100 1.0 Cu Cu15 1 0.12010300 0.54572200 0.33334600 1.0 Cu Cu16 1 0.45427800 0.87989700 0.66665400 1.0 Cu Cu17 1 0.78736100 0.21263900 0.00000000 1.0 Cu Cu18 1 0.87989700 0.45427800 0.66665400 1.0 Cu Cu19 1 0.21263900 0.78736100 0.00000000 1.0 Cu Cu20 1 0.54572200 0.12010300 0.33334600 1.0 O O21 1 0.44332800 0.55667200 0.50000000 1.0 O O22 1 0.78223400 0.89099600 0.82583900 1.0 O O23 1 0.10900400 0.21776600 0.17416100 1.0 O O24 1 0.89099600 0.78223400 0.82583900 1.0 O O25 1 0.21776600 0.10900400 0.17416100 1.0 O O26 1 0.55667200 0.44332800 0.50000000 1.0 O O27 1 0.89035800 0.78502600 0.33669800 1.0 O O28 1 0.21497400 0.10964200 0.66330200 1.0 O O29 1 0.55520900 0.44479100 0.00000000 1.0 O O30 1 0.10964200 0.21497400 0.66330200 1.0 O O31 1 0.44479100 0.55520900 0.00000000 1.0 O O32 1 0.78502600 0.89035800 0.33669800 1.0 O O33 1 0.18679800 0.47943100 0.33373800 1.0 O O34 1 0.52056900 0.81320200 0.66626200 1.0 O O35 1 0.85390300 0.14609700 0.00000000 1.0 O O36 1 0.81320200 0.52056900 0.66626200 1.0 O O37 1 0.14609700 0.85390300 0.00000000 1.0 O O38 1 0.47943100 0.18679800 0.33373800 1.0 O O39 1 0.05204500 0.61368500 0.33295900 1.0 O O40 1 0.38631500 0.94795500 0.66704100 1.0 O O41 1 0.71920100 0.28079900 0.00000000 1.0 O O42 1 0.94795500 0.38631500 0.66704100 1.0 O O43 1 0.28079900 0.71920100 0.00000000 1.0 O O44 1 0.61368500 0.05204500 0.33295900 1.0