# generated using pymatgen data_Ba2Yb(PdO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43611730 _cell_length_b 8.63474890 _cell_length_c 7.23294512 _cell_angle_alpha 72.36858867 _cell_angle_beta 60.70224925 _cell_angle_gamma 46.92914388 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Yb(PdO2)3 _chemical_formula_sum 'Ba4 Yb2 Pd6 O12' _cell_volume 374.99069199 _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 0.75000000 0.75000000 0.75000000 1.0 Ba Ba1 1 0.25000000 0.25000000 0.25000000 1.0 Ba Ba2 1 0.23061237 0.76938763 0.23061237 1.0 Ba Ba3 1 0.76938763 0.23061237 0.76938763 1.0 Yb Yb4 1 0.67066167 0.67066167 0.32933833 1.0 Yb Yb5 1 0.32933833 0.32933833 0.67066167 1.0 Pd Pd6 1 0.68630055 0.00657670 0.31369945 1.0 Pd Pd7 1 0.99342330 0.31369945 0.00657670 1.0 Pd Pd8 1 0.00657670 0.68630055 0.99342330 1.0 Pd Pd9 1 0.31369945 0.99342330 0.68630055 1.0 Pd Pd10 1 0.32818226 0.67181774 0.67181774 1.0 Pd Pd11 1 0.67181774 0.32818226 0.32818226 1.0 O O12 1 0.32921722 0.46599802 0.90242945 1.0 O O13 1 0.30235531 0.90242945 0.46599802 1.0 O O14 1 0.90242945 0.30235531 0.32921722 1.0 O O15 1 0.46599802 0.32921722 0.30235531 1.0 O O16 1 0.67078278 0.53400198 0.09757055 1.0 O O17 1 0.69764469 0.09757055 0.53400198 1.0 O O18 1 0.68682709 0.91837857 0.08162143 1.0 O O19 1 0.53400198 0.67078278 0.69764469 1.0 O O20 1 0.91837857 0.68682709 0.31317291 1.0 O O21 1 0.08162143 0.31317291 0.68682709 1.0 O O22 1 0.31317291 0.08162143 0.91837857 1.0 O O23 1 0.09757055 0.69764469 0.67078278 1.0