# generated using pymatgen data_Ba3InRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91301457 _cell_length_b 5.91301457 _cell_length_c 14.45055200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000642 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3InRu2O9 _chemical_formula_sum 'Ba6 In2 Ru4 O18' _cell_volume 437.55529080 _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 0.58901600 1.0 Ba Ba1 1 0.66666700 0.33333300 0.08901600 1.0 Ba Ba2 1 0.66666700 0.33333300 0.41098400 1.0 Ba Ba3 1 0.33333300 0.66666700 0.91098400 1.0 Ba Ba4 1 0.00000000 0.00000000 0.75000000 1.0 Ba Ba5 1 0.00000000 0.00000000 0.25000000 1.0 In In6 1 0.00000000 0.00000000 0.50000000 1.0 In In7 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru8 1 0.33333300 0.66666700 0.33653200 1.0 Ru Ru9 1 0.66666700 0.33333300 0.83653200 1.0 Ru Ru10 1 0.66666700 0.33333300 0.66346800 1.0 Ru Ru11 1 0.33333300 0.66666700 0.16346800 1.0 O O12 1 0.17326700 0.82673300 0.08590300 1.0 O O13 1 0.17326700 0.34653400 0.08590300 1.0 O O14 1 0.65346600 0.82673300 0.08590300 1.0 O O15 1 0.34653400 0.17326700 0.58590300 1.0 O O16 1 0.82673300 0.65346600 0.91409700 1.0 O O17 1 0.82673300 0.17326700 0.58590300 1.0 O O18 1 0.82673300 0.65346600 0.58590300 1.0 O O19 1 0.17326700 0.82673300 0.41409700 1.0 O O20 1 0.65346600 0.82673300 0.41409700 1.0 O O21 1 0.34653400 0.17326700 0.91409700 1.0 O O22 1 0.82673300 0.17326700 0.91409700 1.0 O O23 1 0.17326700 0.34653400 0.41409700 1.0 O O24 1 0.48930700 0.97861400 0.25000000 1.0 O O25 1 0.51069300 0.48930700 0.75000000 1.0 O O26 1 0.97861400 0.48930700 0.75000000 1.0 O O27 1 0.02138600 0.51069300 0.25000000 1.0 O O28 1 0.48930700 0.51069300 0.25000000 1.0 O O29 1 0.51069300 0.02138600 0.75000000 1.0