# generated using pymatgen data_Ba3PrIr2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98029511 _cell_length_b 5.98029456 _cell_length_c 14.94467801 _cell_angle_alpha 89.37859288 _cell_angle_beta 89.37859522 _cell_angle_gamma 119.83894048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3PrIr2O9 _chemical_formula_sum 'Ba6 Pr2 Ir4 O18' _cell_volume 463.51441097 _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 0.32825462 0.66088614 0.59809241 1.0 Ba Ba1 1 0.99776108 0.00223892 0.75000000 1.0 Ba Ba2 1 0.33911386 0.67174538 0.90190759 1.0 Ba Ba3 1 0.67174538 0.33911386 0.40190759 1.0 Ba Ba4 1 0.00223892 0.99776108 0.25000000 1.0 Ba Ba5 1 0.66088614 0.32825462 0.09809241 1.0 Pr Pr6 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr7 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir8 1 0.67702111 0.34454319 0.83313233 1.0 Ir Ir9 1 0.34454319 0.67702111 0.33313233 1.0 Ir Ir10 1 0.32297889 0.65545681 0.16686767 1.0 Ir Ir11 1 0.65545681 0.32297889 0.66686767 1.0 O O12 1 0.15611908 0.33737064 0.09839096 1.0 O O13 1 0.66262936 0.84388092 0.40160904 1.0 O O14 1 0.84388092 0.66262936 0.90160904 1.0 O O15 1 0.33737064 0.15611908 0.59839096 1.0 O O16 1 0.80091280 0.15600164 0.59325029 1.0 O O17 1 0.84399836 0.19908720 0.90674971 1.0 O O18 1 0.19908720 0.84399836 0.40674971 1.0 O O19 1 0.15600164 0.80091280 0.09325029 1.0 O O20 1 0.79943131 0.61599461 0.58228988 1.0 O O21 1 0.38400539 0.20056869 0.91771012 1.0 O O22 1 0.20056869 0.38400539 0.41771012 1.0 O O23 1 0.61599461 0.79943131 0.08228988 1.0 O O24 1 0.01949399 0.50474777 0.25711020 1.0 O O25 1 0.49525223 0.98050601 0.24288980 1.0 O O26 1 0.98050601 0.49525223 0.74288980 1.0 O O27 1 0.50474777 0.01949399 0.75711020 1.0 O O28 1 0.49210081 0.50789919 0.25000000 1.0 O O29 1 0.50789919 0.49210081 0.75000000 1.0