# generated using pymatgen data_Na5Ni2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.56915069 _cell_length_b 12.45751083 _cell_length_c 3.92014648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.29689705 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ni2P12Ir17 _chemical_formula_sum 'Na5 Ni2 P12 Ir17' _cell_volume 529.98435674 _cell_formula_units_Z 1 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 0.33380186 0.66687434 0.50000000 1.0 Na Na1 1 0.66692753 0.33312566 0.50000000 1.0 Na Na2 1 0.00032323 0.82072831 0.00000000 1.0 Na Na3 1 0.17959492 0.17927169 0.00000000 1.0 Na Na4 1 0.81988776 1.00000000 0.00000000 1.0 Ni Ni5 1 0.00120340 0.46290598 0.50000000 1.0 Ni Ni6 1 0.53829741 0.53709402 0.50000000 1.0 P P7 1 0.99851960 0.63435603 0.50000000 1.0 P P8 1 0.36416256 0.36564397 0.50000000 1.0 P P9 1 0.63771234 1.00000000 0.50000000 1.0 P P10 1 0.51439175 0.68770547 0.00000000 1.0 P P11 1 0.31070778 0.82383789 0.00000000 1.0 P P12 1 0.17672720 0.48530824 0.00000000 1.0 P P13 1 0.48686989 0.17616211 0.00000000 1.0 P P14 1 0.69141797 0.51469176 0.00000000 1.0 P P15 1 0.82668628 0.31229453 0.00000000 1.0 P P16 1 0.99845191 0.18031526 0.50000000 1.0 P P17 1 0.81813665 0.81968474 0.50000000 1.0 P P18 1 0.17855550 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50923770 0.87052346 0.00000000 1.0 Ir Ir20 1 0.12982656 0.63570965 0.00000000 1.0 Ir Ir21 1 0.36267736 0.48669538 0.00000000 1.0 Ir Ir22 1 0.49411791 0.36429035 0.00000000 1.0 Ir Ir23 1 0.87598298 0.51330462 0.00000000 1.0 Ir Ir24 1 0.63871524 0.12947654 0.00000000 1.0 Ir Ir25 1 0.45610898 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99947449 0.28655450 0.00000000 1.0 Ir Ir27 1 0.71291999 0.71344550 0.00000000 1.0 Ir Ir28 1 0.29070005 0.00000000 0.00000000 1.0 Ir Ir29 1 0.61909809 0.80080522 0.50000000 1.0 Ir Ir30 1 0.19392806 0.81635371 0.50000000 1.0 Ir Ir31 1 0.18063284 0.38083982 0.50000000 1.0 Ir Ir32 1 0.37757435 0.18364629 0.50000000 1.0 Ir Ir33 1 0.79979302 0.61916018 0.50000000 1.0 Ir Ir34 1 0.81829186 0.19919478 0.50000000 1.0 Ir Ir35 1 0.99854399 1.00000000 0.50000000 1.0