# generated using pymatgen data_BaLiRu5O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89864439 _cell_length_b 5.89864439 _cell_length_c 14.01558100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000435 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiRu5O11 _chemical_formula_sum 'Ba2 Li2 Ru10 O22' _cell_volume 422.32437454 _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 0.75000000 1.0 Ba Ba1 1 0.66666700 0.33333300 0.25000000 1.0 Li Li2 1 0.33333300 0.66666700 0.25000000 1.0 Li Li3 1 0.66666700 0.33333300 0.75000000 1.0 Ru Ru4 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru5 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru6 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru7 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru8 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru9 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru10 1 0.00000000 0.00000000 0.15750500 1.0 Ru Ru11 1 0.00000000 0.00000000 0.84249500 1.0 Ru Ru12 1 0.00000000 0.00000000 0.65750500 1.0 Ru Ru13 1 0.00000000 0.00000000 0.34249500 1.0 O O14 1 0.14968100 0.29936200 0.25000000 1.0 O O15 1 0.85031900 0.70063800 0.75000000 1.0 O O16 1 0.70063800 0.85031900 0.25000000 1.0 O O17 1 0.29936200 0.14968100 0.75000000 1.0 O O18 1 0.14968100 0.85031900 0.25000000 1.0 O O19 1 0.85031900 0.14968100 0.75000000 1.0 O O20 1 0.16808500 0.33617100 0.58020800 1.0 O O21 1 0.83191500 0.66382900 0.41979200 1.0 O O22 1 0.66382900 0.83191500 0.58020800 1.0 O O23 1 0.83191500 0.66382900 0.08020800 1.0 O O24 1 0.33617100 0.16808500 0.41979200 1.0 O O25 1 0.16808500 0.33617100 0.91979200 1.0 O O26 1 0.16808500 0.83191500 0.58020800 1.0 O O27 1 0.33617100 0.16808500 0.08020800 1.0 O O28 1 0.83191500 0.16808500 0.41979200 1.0 O O29 1 0.66382900 0.83191500 0.91979200 1.0 O O30 1 0.83191500 0.16808500 0.08020800 1.0 O O31 1 0.16808500 0.83191500 0.91979200 1.0 O O32 1 0.33333300 0.66666700 0.08237800 1.0 O O33 1 0.66666700 0.33333300 0.91762200 1.0 O O34 1 0.66666700 0.33333300 0.58237800 1.0 O O35 1 0.33333300 0.66666700 0.41762200 1.0