# generated using pymatgen data_Ba3PrIr2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02779200 _cell_length_b 6.02779200 _cell_length_c 15.03335500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999999 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3PrIr2O9 _chemical_formula_sum 'Ba6 Pr2 Ir4 O18' _cell_volume 473.04565772 _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 0.33333300 0.66666700 0.09795900 1.0 Ba Ba1 1 0.66666700 0.33333300 0.90204100 1.0 Ba Ba2 1 0.66666700 0.33333300 0.59795900 1.0 Ba Ba3 1 0.33333300 0.66666700 0.40204100 1.0 Ba Ba4 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba5 1 0.00000000 0.00000000 0.75000000 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 0.33333300 0.66666700 0.66645400 1.0 Ir Ir9 1 0.66666700 0.33333300 0.33354600 1.0 Ir Ir10 1 0.66666700 0.33333300 0.16645400 1.0 Ir Ir11 1 0.33333300 0.66666700 0.83354600 1.0 O O12 1 0.17942400 0.35884800 0.59063300 1.0 O O13 1 0.82057600 0.64115200 0.40936700 1.0 O O14 1 0.64115200 0.82057600 0.59063300 1.0 O O15 1 0.82057600 0.64115200 0.09063300 1.0 O O16 1 0.35884800 0.17942400 0.40936700 1.0 O O17 1 0.17942400 0.35884800 0.90936700 1.0 O O18 1 0.17942400 0.82057600 0.59063300 1.0 O O19 1 0.35884800 0.17942400 0.09063300 1.0 O O20 1 0.82057600 0.17942400 0.40936700 1.0 O O21 1 0.64115200 0.82057600 0.90936700 1.0 O O22 1 0.82057600 0.17942400 0.09063300 1.0 O O23 1 0.17942400 0.82057600 0.90936700 1.0 O O24 1 0.50922100 0.01844300 0.25000000 1.0 O O25 1 0.49077900 0.98155700 0.75000000 1.0 O O26 1 0.98155700 0.49077900 0.25000000 1.0 O O27 1 0.01844300 0.50922100 0.75000000 1.0 O O28 1 0.50922100 0.49077900 0.25000000 1.0 O O29 1 0.49077900 0.50922100 0.75000000 1.0