# generated using pymatgen data_Yb2NiIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52834286 _cell_length_b 5.19679742 _cell_length_c 9.05652023 _cell_angle_alpha 55.64099378 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2NiIrO6 _chemical_formula_sum 'Yb4 Ni2 Ir2 O12' _cell_volume 214.79215120 _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 Yb Yb0 1 0.92724414 0.22550622 0.75195878 1.0 Yb Yb1 1 0.42724414 0.77449378 0.74804122 1.0 Yb Yb2 1 0.57275586 0.22550622 0.25195878 1.0 Yb Yb3 1 0.07275586 0.77449378 0.24804122 1.0 Ni Ni4 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir6 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir7 1 0.00000000 0.50000000 0.00000000 1.0 O O8 1 0.46823733 0.64127636 0.25222487 1.0 O O9 1 0.19123841 0.85619820 0.94882427 1.0 O O10 1 0.20264386 0.26093291 0.55426052 1.0 O O11 1 0.70264386 0.73906709 0.94573948 1.0 O O12 1 0.69123841 0.14380180 0.55117573 1.0 O O13 1 0.96823733 0.35872364 0.24777513 1.0 O O14 1 0.03176267 0.64127636 0.75222487 1.0 O O15 1 0.30876159 0.85619820 0.44882427 1.0 O O16 1 0.29735614 0.26093291 0.05426052 1.0 O O17 1 0.80876159 0.14380180 0.05117573 1.0 O O18 1 0.79735614 0.73906709 0.44573948 1.0 O O19 1 0.53176267 0.35872364 0.74777513 1.0