# generated using pymatgen data_Ba4PrY(CuO2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90655800 _cell_length_b 7.83373300 _cell_length_c 13.99147545 _cell_angle_alpha 81.99390050 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4PrY(CuO2)8 _chemical_formula_sum 'Ba4 Pr1 Y1 Cu8 O16' _cell_volume 424.00681001 _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 0.43230000 0.27127700 1.0 Ba Ba1 1 0.50000000 0.93189700 0.27257700 1.0 Ba Ba2 1 0.50000000 0.06810300 0.72742300 1.0 Ba Ba3 1 0.50000000 0.56770000 0.72872300 1.0 Pr Pr4 1 0.50000000 0.00000000 0.00000000 1.0 Y Y5 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu6 1 0.00000000 0.14406600 0.42467900 1.0 Cu Cu7 1 0.00000000 0.64374900 0.42468900 1.0 Cu Cu8 1 0.00000000 0.35625100 0.57531100 1.0 Cu Cu9 1 0.00000000 0.85593400 0.57532100 1.0 Cu Cu10 1 0.00000000 0.22134100 0.12544900 1.0 Cu Cu11 1 0.00000000 0.71628000 0.12547300 1.0 Cu Cu12 1 0.00000000 0.28372000 0.87452700 1.0 Cu Cu13 1 0.00000000 0.77865900 0.87455100 1.0 O O14 1 0.50000000 0.23229300 0.10706400 1.0 O O15 1 0.50000000 0.71425700 0.10706000 1.0 O O16 1 0.50000000 0.28574300 0.89294000 1.0 O O17 1 0.50000000 0.76770700 0.89293600 1.0 O O18 1 0.00000000 0.17678300 0.29114900 1.0 O O19 1 0.00000000 0.67666600 0.29111900 1.0 O O20 1 0.00000000 0.32333400 0.70888100 1.0 O O21 1 0.00000000 0.82321700 0.70885100 1.0 O O22 1 0.00000000 0.39035000 0.43857600 1.0 O O23 1 0.00000000 0.89046100 0.43854200 1.0 O O24 1 0.00000000 0.10953900 0.56145800 1.0 O O25 1 0.00000000 0.60965000 0.56142400 1.0 O O26 1 0.00000000 0.47395700 0.10452600 1.0 O O27 1 0.00000000 0.97209700 0.11260000 1.0 O O28 1 0.00000000 0.02790300 0.88740000 1.0 O O29 1 0.00000000 0.52604300 0.89547400 1.0