# generated using pymatgen data_Na5P12Ir16Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.44088256 _cell_length_b 12.44088355 _cell_length_c 3.97281385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5P12Ir16Ru3 _chemical_formula_sum 'Na5 P12 Ir16 Ru3' _cell_volume 532.51427286 _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 1.00000000 0.82412786 0.50000000 1.0 Na Na1 1 0.17587214 0.17587214 0.50000000 1.0 Na Na2 1 0.82412786 0.00000000 0.50000000 1.0 Na Na3 1 0.33333300 0.66666700 0.00000000 1.0 Na Na4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.00000000 0.18140580 0.00000000 1.0 P P6 1 0.81859420 0.81859420 0.00000000 1.0 P P7 1 0.18140580 0.00000000 0.00000000 1.0 P P8 1 0.51617383 0.68843390 0.50000000 1.0 P P9 1 0.31156610 0.82773892 0.50000000 1.0 P P10 1 0.17226108 0.48382617 0.50000000 1.0 P P11 1 0.48382617 0.17226108 0.50000000 1.0 P P12 1 0.68843390 0.51617383 0.50000000 1.0 P P13 1 0.82773892 0.31156610 0.50000000 1.0 P P14 1 0.00000000 0.64084335 0.00000000 1.0 P P15 1 0.35915665 0.35915665 0.00000000 1.0 P P16 1 0.64084335 1.00000000 0.00000000 1.0 Ir Ir17 1 0.62232195 0.80399702 0.00000000 1.0 Ir Ir18 1 0.19600298 0.81832593 0.00000000 1.0 Ir Ir19 1 0.18167407 0.37767805 0.00000000 1.0 Ir Ir20 1 0.37767805 0.18167407 0.00000000 1.0 Ir Ir21 1 0.80399702 0.62232195 0.00000000 1.0 Ir Ir22 1 0.81832593 0.19600298 0.00000000 1.0 Ir Ir23 1 0.51104480 0.87100753 0.50000000 1.0 Ir Ir24 1 0.12899247 0.64003727 0.50000000 1.0 Ir Ir25 1 0.35996273 0.48895520 0.50000000 1.0 Ir Ir26 1 0.48895520 0.35996273 0.50000000 1.0 Ir Ir27 1 0.87100753 0.51104480 0.50000000 1.0 Ir Ir28 1 0.64003727 0.12899247 0.50000000 1.0 Ir Ir29 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir30 1 1.00000000 0.45808361 0.00000000 1.0 Ir Ir31 1 0.54191639 0.54191639 0.00000000 1.0 Ir Ir32 1 0.45808361 0.00000000 0.00000000 1.0 Ru Ru33 1 1.00000000 0.29240840 0.50000000 1.0 Ru Ru34 1 0.70759160 0.70759160 0.50000000 1.0 Ru Ru35 1 0.29240840 0.00000000 0.50000000 1.0