# generated using pymatgen data_NaYbIrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29561210 _cell_length_b 9.29561169 _cell_length_c 3.16855587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.53705299 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYbIrO4 _chemical_formula_sum 'Na3 Yb3 Ir3 O12' _cell_volume 238.20731272 _cell_formula_units_Z 3 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 Na Na0 1 0.98754933 0.98754933 0.00000000 1.0 Na Na1 1 0.69583727 0.99676080 0.50000000 1.0 Na Na2 1 0.99676080 0.69583727 0.50000000 1.0 Yb Yb3 1 0.66546075 0.33468476 0.50000000 1.0 Yb Yb4 1 0.33468476 0.66546075 0.50000000 1.0 Yb Yb5 1 0.29744725 0.29744725 0.50000000 1.0 Ir Ir6 1 0.66782392 0.66782392 0.00000000 1.0 Ir Ir7 1 0.32935916 0.00218152 0.00000000 1.0 Ir Ir8 1 0.00218152 0.32935916 0.00000000 1.0 O O9 1 0.54393823 0.78124071 0.00000000 1.0 O O10 1 0.22089736 0.76959612 0.00000000 1.0 O O11 1 0.24394435 0.44413725 0.00000000 1.0 O O12 1 0.78124071 0.54393823 0.00000000 1.0 O O13 1 0.76959612 0.22089736 0.00000000 1.0 O O14 1 0.44413725 0.24394435 0.00000000 1.0 O O15 1 0.53484701 0.53484701 0.50000000 1.0 O O16 1 0.46632402 0.01392949 0.50000000 1.0 O O17 1 0.01392949 0.46632402 0.50000000 1.0 O O18 1 0.80550012 0.80550012 0.50000000 1.0 O O19 1 0.19122827 0.00741033 0.50000000 1.0 O O20 1 0.00741033 0.19122827 0.50000000 1.0