# generated using pymatgen data_La2Nd2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99031966 _cell_length_b 12.82100078 _cell_length_c 13.23636170 _cell_angle_alpha 81.01784998 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Nd2P7Ir8 _chemical_formula_sum 'La4 Nd4 P14 Ir16' _cell_volume 668.86670192 _cell_formula_units_Z 2 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 0.25000000 0.10550475 0.79014540 1.0 La La1 1 0.75000000 0.89449525 0.20985460 1.0 La La2 1 0.25000000 0.28141086 0.10344561 1.0 La La3 1 0.75000000 0.71858914 0.89655439 1.0 Nd Nd4 1 0.25000000 0.51818282 0.29305323 1.0 Nd Nd5 1 0.75000000 0.48181718 0.70694677 1.0 Nd Nd6 1 0.25000000 0.21005638 0.43908849 1.0 Nd Nd7 1 0.75000000 0.78994362 0.56091151 1.0 P P8 1 0.25000000 0.05403224 0.09734235 1.0 P P9 1 0.75000000 0.94596776 0.90265765 1.0 P P10 1 0.25000000 0.31533256 0.68679960 1.0 P P11 1 0.75000000 0.68466744 0.31320040 1.0 P P12 1 0.25000000 0.60822871 0.56166680 1.0 P P13 1 0.75000000 0.39177129 0.43833320 1.0 P P14 1 0.25000000 0.84492524 0.71789880 1.0 P P15 1 0.75000000 0.15507476 0.28210120 1.0 P P16 1 0.75000000 0.25785318 0.91647368 1.0 P P17 1 0.25000000 0.74214682 0.08352632 1.0 P P18 1 0.75000000 0.09003537 0.59058120 1.0 P P19 1 0.25000000 0.90996463 0.40941880 1.0 P P20 1 0.75000000 0.47217984 0.12737533 1.0 P P21 1 0.25000000 0.52782016 0.87262467 1.0 Ir Ir22 1 0.25000000 0.98893684 0.57631180 1.0 Ir Ir23 1 0.75000000 0.01106316 0.42368820 1.0 Ir Ir24 1 0.25000000 0.66306462 0.72789040 1.0 Ir Ir25 1 0.75000000 0.33693538 0.27210960 1.0 Ir Ir26 1 0.25000000 0.54926408 0.05013698 1.0 Ir Ir27 1 0.75000000 0.45073592 0.94986302 1.0 Ir Ir28 1 0.25000000 0.06211303 0.27268369 1.0 Ir Ir29 1 0.75000000 0.93788697 0.72731631 1.0 Ir Ir30 1 0.25000000 0.42373390 0.52649716 1.0 Ir Ir31 1 0.75000000 0.57626610 0.47350284 1.0 Ir Ir32 1 0.25000000 0.91605314 0.99908907 1.0 Ir Ir33 1 0.75000000 0.08394686 0.00091093 1.0 Ir Ir34 1 0.25000000 0.72880957 0.39599196 1.0 Ir Ir35 1 0.75000000 0.27119043 0.60400804 1.0 Ir Ir36 1 0.25000000 0.34246637 0.85850280 1.0 Ir Ir37 1 0.75000000 0.65753363 0.14149720 1.0