# generated using pymatgen data_Ba6Na2Cr2Ru2O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92461641 _cell_length_b 5.92461714 _cell_length_c 30.19064554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000143 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Na2Cr2Ru2O17 _chemical_formula_sum 'Ba12 Na4 Cr4 Ru4 O34' _cell_volume 917.74822402 _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 0.66666700 0.33333300 0.09209629 1.0 Ba Ba1 1 0.33333300 0.66666700 0.31964156 1.0 Ba Ba2 1 0.33333300 0.66666700 0.18035844 1.0 Ba Ba3 1 0.66666700 0.33333300 0.68035844 1.0 Ba Ba4 1 0.33333300 0.66666700 0.90790371 1.0 Ba Ba5 1 0.66666700 0.33333300 0.40790371 1.0 Ba Ba6 1 0.33333300 0.66666700 0.59209629 1.0 Ba Ba7 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba8 1 0.66666700 0.33333300 0.81964156 1.0 Ba Ba9 1 0.00000000 0.00000000 0.75000000 1.0 Ba Ba10 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba11 1 0.00000000 0.00000000 0.00000000 1.0 Na Na12 1 0.00000000 0.00000000 0.12406580 1.0 Na Na13 1 0.00000000 0.00000000 0.87593420 1.0 Na Na14 1 0.00000000 0.00000000 0.37593420 1.0 Na Na15 1 0.00000000 0.00000000 0.62406580 1.0 Cr Cr16 1 0.66666700 0.33333300 0.55197912 1.0 Cr Cr17 1 0.33333300 0.66666700 0.44802088 1.0 Cr Cr18 1 0.33333300 0.66666700 0.05197912 1.0 Cr Cr19 1 0.66666700 0.33333300 0.94802088 1.0 Ru Ru20 1 0.66666700 0.33333300 0.20381438 1.0 Ru Ru21 1 0.33333300 0.66666700 0.79618562 1.0 Ru Ru22 1 0.66666700 0.33333300 0.29618562 1.0 Ru Ru23 1 0.33333300 0.66666700 0.70381438 1.0 O O24 1 0.35341838 0.17670919 0.17022186 1.0 O O25 1 0.48622307 0.97244513 0.75000000 1.0 O O26 1 0.35341838 0.17670919 0.32977814 1.0 O O27 1 0.82329081 0.17670919 0.32977814 1.0 O O28 1 0.17538781 0.35077563 0.07282941 1.0 O O29 1 0.64658162 0.82329081 0.67022186 1.0 O O30 1 0.33333300 0.66666700 0.99537220 1.0 O O31 1 0.17670919 0.82329081 0.67022186 1.0 O O32 1 0.17538781 0.82461219 0.07282941 1.0 O O33 1 0.17670919 0.35341838 0.67022186 1.0 O O34 1 0.82329081 0.64658162 0.17022186 1.0 O O35 1 0.35077563 0.17538781 0.57282941 1.0 O O36 1 0.82461219 0.64922437 0.92717059 1.0 O O37 1 0.51377693 0.48622307 0.25000000 1.0 O O38 1 0.66666700 0.33333300 0.49537220 1.0 O O39 1 0.17670919 0.35341838 0.82977814 1.0 O O40 1 0.82461219 0.64922437 0.57282941 1.0 O O41 1 0.51377693 0.02755487 0.25000000 1.0 O O42 1 0.66666700 0.33333300 0.00462780 1.0 O O43 1 0.35077563 0.17538781 0.92717059 1.0 O O44 1 0.64922437 0.82461219 0.07282941 1.0 O O45 1 0.33333300 0.66666700 0.50462780 1.0 O O46 1 0.17670919 0.82329081 0.82977814 1.0 O O47 1 0.97244513 0.48622307 0.25000000 1.0 O O48 1 0.17538781 0.35077563 0.42717059 1.0 O O49 1 0.64658162 0.82329081 0.82977814 1.0 O O50 1 0.82461219 0.17538781 0.57282941 1.0 O O51 1 0.82461219 0.17538781 0.92717059 1.0 O O52 1 0.64922437 0.82461219 0.42717059 1.0 O O53 1 0.17538781 0.82461219 0.42717059 1.0 O O54 1 0.82329081 0.64658162 0.32977814 1.0 O O55 1 0.48622307 0.51377693 0.75000000 1.0 O O56 1 0.02755487 0.51377693 0.75000000 1.0 O O57 1 0.82329081 0.17670919 0.17022186 1.0