# generated using pymatgen data_Zr2P3Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73576441 _cell_length_b 12.62970510 _cell_length_c 3.89382574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.72490089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2P3Ir3Ru _chemical_formula_sum 'Zr8 P12 Ir12 Ru4' _cell_volume 543.90444383 _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 Zr Zr0 1 0.44322544 0.44751904 0.00000000 1.0 Zr Zr1 1 0.55677456 0.00429360 0.00000000 1.0 Zr Zr2 1 1.00000000 0.55340374 0.00000000 1.0 Zr Zr3 1 0.67124504 0.33597930 0.00000000 1.0 Zr Zr4 1 0.32875496 0.66473626 0.00000000 1.0 Zr Zr5 1 0.81541031 0.81423336 0.50000000 1.0 Zr Zr6 1 0.18458969 0.99882305 0.50000000 1.0 Zr Zr7 1 0.00000000 0.18504269 0.50000000 1.0 P P8 1 0.65546897 0.64933600 0.00000000 1.0 P P9 1 0.34453103 0.99386702 0.00000000 1.0 P P10 1 0.00000000 0.34541756 0.00000000 1.0 P P11 1 0.48381351 0.31363707 0.50000000 1.0 P P12 1 0.69494289 0.17240148 0.50000000 1.0 P P13 1 0.82872330 0.52048473 0.50000000 1.0 P P14 1 0.51618649 0.82982456 0.50000000 1.0 P P15 1 0.17127670 0.69176242 0.50000000 1.0 P P16 1 0.82765822 0.00261646 0.00000000 1.0 P P17 1 0.00000000 0.82385499 0.00000000 1.0 P P18 1 0.30505711 0.47745959 0.50000000 1.0 P P19 1 0.17234178 0.17495923 0.00000000 1.0 Ir Ir20 1 0.36926650 0.18698038 0.00000000 1.0 Ir Ir21 1 0.13446009 0.49499692 0.50000000 1.0 Ir Ir22 1 0.35950581 0.87070874 0.50000000 1.0 Ir Ir23 1 0.49600164 0.63952386 0.50000000 1.0 Ir Ir24 1 0.64049419 0.51120293 0.50000000 1.0 Ir Ir25 1 0.86553991 0.36053684 0.50000000 1.0 Ir Ir26 1 0.50399836 0.14352222 0.50000000 1.0 Ir Ir27 1 1.00000000 0.99916740 0.00000000 1.0 Ir Ir28 1 0.72387381 0.99667536 0.50000000 1.0 Ir Ir29 1 0.00000000 0.72587563 0.50000000 1.0 Ir Ir30 1 0.63073350 0.81771488 0.00000000 1.0 Ir Ir31 1 0.27612619 0.27280155 0.50000000 1.0 Ru Ru32 1 0.19040384 0.36883779 0.00000000 1.0 Ru Ru33 1 0.17848757 0.80592999 0.00000000 1.0 Ru Ru34 1 0.82151243 0.62744142 0.00000000 1.0 Ru Ru35 1 0.80959616 0.17843295 0.00000000 1.0