# generated using pymatgen data_Ba3PrIrRuO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03284609 _cell_length_b 6.03284609 _cell_length_c 15.00762000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000102 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3PrIrRuO9 _chemical_formula_sum 'Ba6 Pr2 Ir2 Ru2 O18' _cell_volume 473.02810346 _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 0.00000000 0.00000000 0.25032000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.75032000 1.0 Ba Ba2 1 0.33333300 0.66666700 0.59934900 1.0 Ba Ba3 1 0.66666700 0.33333300 0.39970600 1.0 Ba Ba4 1 0.66666700 0.33333300 0.09934900 1.0 Ba Ba5 1 0.33333300 0.66666700 0.89970600 1.0 Pr Pr6 1 0.00000000 0.00000000 0.49895700 1.0 Pr Pr7 1 0.00000000 0.00000000 0.99895700 1.0 Ir Ir8 1 0.33333300 0.66666700 0.33303600 1.0 Ir Ir9 1 0.66666700 0.33333300 0.83303600 1.0 Ru Ru10 1 0.66666700 0.33333300 0.66557200 1.0 Ru Ru11 1 0.33333300 0.66666700 0.16557200 1.0 O O12 1 0.48990900 0.51009100 0.24923200 1.0 O O13 1 0.48990900 0.97981900 0.24923200 1.0 O O14 1 0.02018100 0.51009100 0.24923200 1.0 O O15 1 0.51009100 0.48990900 0.74923200 1.0 O O16 1 0.51009100 0.02018100 0.74923200 1.0 O O17 1 0.97981900 0.48990900 0.74923200 1.0 O O18 1 0.17968100 0.82031900 0.09220900 1.0 O O19 1 0.17968100 0.35936100 0.09220900 1.0 O O20 1 0.64063900 0.82031900 0.09220900 1.0 O O21 1 0.82090400 0.17909600 0.90957800 1.0 O O22 1 0.82090400 0.64180800 0.90957800 1.0 O O23 1 0.35819200 0.17909600 0.90957800 1.0 O O24 1 0.82031900 0.17968100 0.59220900 1.0 O O25 1 0.82031900 0.64063900 0.59220900 1.0 O O26 1 0.35936100 0.17968100 0.59220900 1.0 O O27 1 0.17909600 0.82090400 0.40957800 1.0 O O28 1 0.17909600 0.35819200 0.40957800 1.0 O O29 1 0.64180800 0.82090400 0.40957800 1.0