# generated using pymatgen data_Pr2Nd2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97813852 _cell_length_b 12.79395523 _cell_length_c 13.21358331 _cell_angle_alpha 80.97556028 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Nd2P7Ir8 _chemical_formula_sum 'Pr4 Nd4 P14 Ir16' _cell_volume 664.19542610 _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 Pr Pr0 1 0.75000000 0.71982823 0.89869283 1.0 Pr Pr1 1 0.25000000 0.10623213 0.79063673 1.0 Pr Pr2 1 0.75000000 0.89376787 0.20936327 1.0 Pr Pr3 1 0.25000000 0.28017177 0.10130717 1.0 Nd Nd4 1 0.75000000 0.78930978 0.56225674 1.0 Nd Nd5 1 0.25000000 0.21069022 0.43774326 1.0 Nd Nd6 1 0.75000000 0.48149353 0.70744698 1.0 Nd Nd7 1 0.25000000 0.51850647 0.29255302 1.0 P P8 1 0.25000000 0.90992577 0.40941784 1.0 P P9 1 0.75000000 0.47127831 0.12810309 1.0 P P10 1 0.25000000 0.52872169 0.87189691 1.0 P P11 1 0.75000000 0.09007423 0.59058216 1.0 P P12 1 0.25000000 0.74280051 0.08204794 1.0 P P13 1 0.75000000 0.25719949 0.91795206 1.0 P P14 1 0.75000000 0.15538594 0.28079128 1.0 P P15 1 0.25000000 0.84461406 0.71920872 1.0 P P16 1 0.25000000 0.05290934 0.09905965 1.0 P P17 1 0.75000000 0.94709066 0.90094035 1.0 P P18 1 0.25000000 0.31530202 0.68788996 1.0 P P19 1 0.75000000 0.68469798 0.31211004 1.0 P P20 1 0.25000000 0.60794018 0.56152228 1.0 P P21 1 0.75000000 0.39205982 0.43847772 1.0 Ir Ir22 1 0.25000000 0.98930738 0.57652498 1.0 Ir Ir23 1 0.75000000 0.01069262 0.42347502 1.0 Ir Ir24 1 0.25000000 0.66357561 0.72705791 1.0 Ir Ir25 1 0.75000000 0.33642439 0.27294209 1.0 Ir Ir26 1 0.25000000 0.54776012 0.05106432 1.0 Ir Ir27 1 0.75000000 0.45223988 0.94893568 1.0 Ir Ir28 1 0.25000000 0.06170264 0.27298556 1.0 Ir Ir29 1 0.75000000 0.93829736 0.72701444 1.0 Ir Ir30 1 0.25000000 0.42342480 0.52720683 1.0 Ir Ir31 1 0.75000000 0.57657520 0.47279317 1.0 Ir Ir32 1 0.25000000 0.91712428 0.99714354 1.0 Ir Ir33 1 0.75000000 0.08287572 0.00285646 1.0 Ir Ir34 1 0.25000000 0.72999821 0.39446213 1.0 Ir Ir35 1 0.75000000 0.27000179 0.60553787 1.0 Ir Ir36 1 0.25000000 0.34153017 0.85924002 1.0 Ir Ir37 1 0.75000000 0.65846983 0.14075998 1.0