# generated using pymatgen data_La5Zr2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73548505 _cell_length_b 12.97648594 _cell_length_c 4.04185125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.38751249 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Zr2P12Ir17 _chemical_formula_sum 'La5 Zr2 P12 Ir17' _cell_volume 582.01072782 _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 La La0 1 0.32927125 0.66214969 0.50000000 1.0 La La1 1 0.66712356 0.33785031 0.50000000 1.0 La La2 1 0.00200339 0.81562450 0.00000000 1.0 La La3 1 0.18637889 0.18437550 0.00000000 1.0 La La4 1 0.81455451 0.00000000 0.00000000 1.0 Zr Zr5 1 0.99683901 0.44388800 0.50000000 1.0 Zr Zr6 1 0.55295101 0.55611200 0.50000000 1.0 P P7 1 0.00547281 0.64591300 0.50000000 1.0 P P8 1 0.35955982 0.35408700 0.50000000 1.0 P P9 1 0.64054915 0.00000000 0.50000000 1.0 P P10 1 0.51800943 0.68825642 0.00000000 1.0 P P11 1 0.30772879 0.82583846 0.00000000 1.0 P P12 1 0.16292950 0.47732372 0.00000000 1.0 P P13 1 0.48188933 0.17416154 0.00000000 1.0 P P14 1 0.68560578 0.52267628 0.00000000 1.0 P P15 1 0.82975301 0.31174358 0.00000000 1.0 P P16 1 0.99975152 0.17764827 0.50000000 1.0 P P17 1 0.82210325 0.82235173 0.50000000 1.0 P P18 1 0.18572656 1.00000000 0.50000000 1.0 Ir Ir19 1 0.50591405 0.86819898 0.00000000 1.0 Ir Ir20 1 0.12361526 0.64281054 0.00000000 1.0 Ir Ir21 1 0.35686099 0.49620140 0.00000000 1.0 Ir Ir22 1 0.48080471 0.35718946 0.00000000 1.0 Ir Ir23 1 0.86065959 0.50379860 0.00000000 1.0 Ir Ir24 1 0.63771607 0.13180102 0.00000000 1.0 Ir Ir25 1 0.46380742 1.00000000 0.50000000 1.0 Ir Ir26 1 0.99675169 0.27954873 0.00000000 1.0 Ir Ir27 1 0.71720297 0.72045127 0.00000000 1.0 Ir Ir28 1 0.29341502 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62093034 0.80607003 0.50000000 1.0 Ir Ir30 1 0.20841769 0.82713749 0.50000000 1.0 Ir Ir31 1 0.17717087 0.36939255 0.50000000 1.0 Ir Ir32 1 0.38128020 0.17286251 0.50000000 1.0 Ir Ir33 1 0.80777731 0.63060745 0.50000000 1.0 Ir Ir34 1 0.81486131 0.19392997 0.50000000 1.0 Ir Ir35 1 0.00461791 1.00000000 0.50000000 1.0