# generated using pymatgen data_Li5P12Ir16Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.38217349 _cell_length_b 12.38217202 _cell_length_c 3.92985222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000393 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5P12Ir16Ru3 _chemical_formula_sum 'Li5 P12 Ir16 Ru3' _cell_volume 521.79576740 _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 Li Li0 1 0.66666700 0.33333300 0.00000000 1.0 Li Li1 1 0.33333300 0.66666700 0.00000000 1.0 Li Li2 1 0.83925318 0.83925318 0.50000000 1.0 Li Li3 1 0.16074682 0.00000000 0.50000000 1.0 Li Li4 1 1.00000000 0.16074682 0.50000000 1.0 P P5 1 0.68792684 0.17216703 0.50000000 1.0 P P6 1 0.82783297 0.51575980 0.50000000 1.0 P P7 1 0.48424020 0.31207316 0.50000000 1.0 P P8 1 0.17216703 0.68792684 0.50000000 1.0 P P9 1 0.51575980 0.82783297 0.50000000 1.0 P P10 1 0.31207316 0.48424020 0.50000000 1.0 P P11 1 0.64212325 0.64212325 0.00000000 1.0 P P12 1 0.35787675 0.00000000 0.00000000 1.0 P P13 1 0.00000000 0.35787675 0.00000000 1.0 P P14 1 0.18017858 0.18017858 0.00000000 1.0 P P15 1 0.81982142 0.00000000 0.00000000 1.0 P P16 1 1.00000000 0.81982142 0.00000000 1.0 Ir Ir17 1 0.80511436 0.18222496 0.00000000 1.0 Ir Ir18 1 0.81777504 0.62288941 0.00000000 1.0 Ir Ir19 1 0.37711059 0.19488564 0.00000000 1.0 Ir Ir20 1 0.18222496 0.80511436 0.00000000 1.0 Ir Ir21 1 0.62288941 0.81777504 0.00000000 1.0 Ir Ir22 1 0.19488564 0.37711059 0.00000000 1.0 Ir Ir23 1 0.45779255 0.45779255 0.00000000 1.0 Ir Ir24 1 0.54220745 0.00000000 0.00000000 1.0 Ir Ir25 1 1.00000000 0.54220745 0.00000000 1.0 Ir Ir26 1 0.86956971 0.35971524 0.50000000 1.0 Ir Ir27 1 0.64028476 0.50985547 0.50000000 1.0 Ir Ir28 1 0.49014453 0.13043029 0.50000000 1.0 Ir Ir29 1 0.35971524 0.86956971 0.50000000 1.0 Ir Ir30 1 0.50985547 0.64028476 0.50000000 1.0 Ir Ir31 1 0.13043029 0.49014453 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru33 1 0.29019267 0.29019267 0.50000000 1.0 Ru Ru34 1 0.70980733 0.00000000 0.50000000 1.0 Ru Ru35 1 1.00000000 0.70980733 0.50000000 1.0