# generated using pymatgen data_NaYbPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99454706 _cell_length_b 6.45965664 _cell_length_c 10.98777143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYbPO4 _chemical_formula_sum 'Na4 Yb4 P4 O16' _cell_volume 354.49911854 _cell_formula_units_Z 4 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 0.00000000 0.00000000 0.00000000 1.0 Na Na1 1 0.00000000 0.50000000 0.00000000 1.0 Na Na2 1 0.50000000 0.50000000 0.50000000 1.0 Na Na3 1 0.50000000 0.00000000 0.50000000 1.0 Yb Yb4 1 0.50476727 0.25000000 0.21749085 1.0 Yb Yb5 1 0.49523273 0.75000000 0.78250915 1.0 Yb Yb6 1 0.99523273 0.25000000 0.71749085 1.0 Yb Yb7 1 0.00476727 0.75000000 0.28250915 1.0 P P8 1 0.07039725 0.25000000 0.39848383 1.0 P P9 1 0.42960275 0.25000000 0.89848383 1.0 P P10 1 0.92960275 0.75000000 0.60151617 1.0 P P11 1 0.57039725 0.75000000 0.10151617 1.0 O O12 1 0.19311370 0.06045694 0.33175276 1.0 O O13 1 0.80688630 0.56045694 0.66824724 1.0 O O14 1 0.30688630 0.06045694 0.83175276 1.0 O O15 1 0.69311370 0.56045694 0.16824724 1.0 O O16 1 0.32652185 0.25000000 0.03018659 1.0 O O17 1 0.67347815 0.75000000 0.96981341 1.0 O O18 1 0.17347815 0.25000000 0.53018659 1.0 O O19 1 0.82652185 0.75000000 0.46981341 1.0 O O20 1 0.80688630 0.93954306 0.66824724 1.0 O O21 1 0.19311370 0.43954306 0.33175276 1.0 O O22 1 0.69311370 0.93954306 0.16824724 1.0 O O23 1 0.30688630 0.43954306 0.83175276 1.0 O O24 1 0.26491120 0.75000000 0.10746768 1.0 O O25 1 0.73508880 0.25000000 0.89253232 1.0 O O26 1 0.23508880 0.75000000 0.60746768 1.0 O O27 1 0.76491120 0.25000000 0.39253232 1.0