# generated using pymatgen data_Ba3PrRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01601404 _cell_length_b 6.01601404 _cell_length_c 15.02181400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000044 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3PrRu2O9 _chemical_formula_sum 'Ba6 Pr2 Ru4 O18' _cell_volume 470.83711755 _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 0.60553200 1.0 Ba Ba1 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba2 1 0.66666700 0.33333300 0.39446800 1.0 Ba Ba3 1 0.66666700 0.33333300 0.10553200 1.0 Ba Ba4 1 0.33333300 0.66666700 0.89446800 1.0 Ba Ba5 1 0.00000000 0.00000000 0.75000000 1.0 Pr Pr6 1 0.00000000 0.00000000 0.50000000 1.0 Pr Pr7 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru8 1 0.33333300 0.66666700 0.33309300 1.0 Ru Ru9 1 0.66666700 0.33333300 0.83309300 1.0 Ru Ru10 1 0.66666700 0.33333300 0.66690700 1.0 Ru Ru11 1 0.33333300 0.66666700 0.16690700 1.0 O O12 1 0.17830300 0.82169700 0.09396800 1.0 O O13 1 0.17830300 0.35660600 0.09396800 1.0 O O14 1 0.64339400 0.82169700 0.09396800 1.0 O O15 1 0.35660600 0.17830300 0.59396800 1.0 O O16 1 0.82169700 0.64339400 0.90603200 1.0 O O17 1 0.82169700 0.17830300 0.59396800 1.0 O O18 1 0.82169700 0.64339400 0.59396800 1.0 O O19 1 0.17830300 0.82169700 0.40603200 1.0 O O20 1 0.64339400 0.82169700 0.40603200 1.0 O O21 1 0.35660600 0.17830300 0.90603200 1.0 O O22 1 0.82169700 0.17830300 0.90603200 1.0 O O23 1 0.17830300 0.35660600 0.40603200 1.0 O O24 1 0.49122500 0.98245000 0.25000000 1.0 O O25 1 0.50877500 0.49122500 0.75000000 1.0 O O26 1 0.98245000 0.49122500 0.75000000 1.0 O O27 1 0.01755000 0.50877500 0.25000000 1.0 O O28 1 0.49122500 0.50877500 0.25000000 1.0 O O29 1 0.50877500 0.01755000 0.75000000 1.0