# generated using pymatgen data_Ba3ZrRh2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81858486 _cell_length_b 5.81858507 _cell_length_c 14.39813311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3ZrRh2O9 _chemical_formula_sum 'Ba6 Zr2 Rh4 O18' _cell_volume 422.15467776 _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 0.90759760 1.0 Ba Ba1 1 0.66666700 0.33333300 0.09240240 1.0 Ba Ba2 1 0.66666700 0.33333300 0.40759760 1.0 Ba Ba3 1 0.33333300 0.66666700 0.59240240 1.0 Ba Ba4 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba5 1 0.00000000 0.00000000 0.75000000 1.0 Zr Zr6 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr7 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh8 1 0.33333300 0.66666700 0.33961777 1.0 Rh Rh9 1 0.66666700 0.33333300 0.83961777 1.0 Rh Rh10 1 0.33333300 0.66666700 0.16038223 1.0 Rh Rh11 1 0.66666700 0.33333300 0.66038223 1.0 O O12 1 0.66087574 0.83043787 0.41758744 1.0 O O13 1 0.33912426 0.16956213 0.58241256 1.0 O O14 1 0.48644825 0.51355175 0.25000000 1.0 O O15 1 0.33912426 0.16956213 0.91758744 1.0 O O16 1 0.83043787 0.66087574 0.91758744 1.0 O O17 1 0.51355175 0.02710250 0.75000000 1.0 O O18 1 0.16956213 0.33912426 0.08241256 1.0 O O19 1 0.16956213 0.83043787 0.08241256 1.0 O O20 1 0.16956213 0.33912426 0.41758744 1.0 O O21 1 0.02710250 0.51355175 0.25000000 1.0 O O22 1 0.97289750 0.48644825 0.75000000 1.0 O O23 1 0.66087574 0.83043787 0.08241256 1.0 O O24 1 0.51355175 0.48644825 0.75000000 1.0 O O25 1 0.48644825 0.97289750 0.25000000 1.0 O O26 1 0.83043787 0.66087574 0.58241256 1.0 O O27 1 0.83043787 0.16956213 0.58241256 1.0 O O28 1 0.83043787 0.16956213 0.91758744 1.0 O O29 1 0.16956213 0.83043787 0.41758744 1.0