# generated using pymatgen data_Al13Fe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98717534 _cell_length_b 8.63074379 _cell_length_c 12.30141247 _cell_angle_alpha 105.68038140 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.56253484 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al13Fe4 _chemical_formula_sum 'Al39 Fe12' _cell_volume 715.96969643 _cell_formula_units_Z 3 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 Al Al0 1 0.06598421 0.13196743 0.17337218 1.0 Al Al1 1 0.93401591 0.86803281 0.82662830 1.0 Al Al2 1 0.32524327 0.65048655 0.28162410 1.0 Al Al3 1 0.67475675 0.34951351 0.71837610 1.0 Al Al4 1 0.23695407 0.47390814 0.53734146 1.0 Al Al5 1 0.76304544 0.52609087 0.46265773 1.0 Al Al6 1 0.07396990 0.14793980 0.57980956 1.0 Al Al7 1 0.92602985 0.85205970 0.42018919 1.0 Al Al8 1 0.24013244 0.48026489 0.95601795 1.0 Al Al9 1 0.75986766 0.51973532 0.04398212 1.0 Al Al10 1 0.47940001 0.95880002 0.82909008 1.0 Al Al11 1 0.52059993 0.04119986 0.17091019 1.0 Al Al12 1 0.50000013 0.00000025 0.49999981 1.0 Al Al13 1 0.30576208 0.61152316 0.77171953 1.0 Al Al14 1 0.69423912 0.38847923 0.22828137 1.0 Al Al15 1 0.08526736 0.17053572 0.78652901 1.0 Al Al16 1 0.91473202 0.82946305 0.21347191 1.0 Al Al17 1 0.96796465 0.37060316 0.11111818 1.0 Al Al18 1 0.40263851 0.37060316 0.11111818 1.0 Al Al19 1 0.03203575 0.62939795 0.88888205 1.0 Al Al20 1 0.59736219 0.62939795 0.88888205 1.0 Al Al21 1 0.15491479 0.73639918 0.10944139 1.0 Al Al22 1 0.58148439 0.73639918 0.10944139 1.0 Al Al23 1 0.84508460 0.26360005 0.89055878 1.0 Al Al24 1 0.41851545 0.26360005 0.89055878 1.0 Al Al25 1 0.95753677 0.35568297 0.33514991 1.0 Al Al26 1 0.39814521 0.35568297 0.33514991 1.0 Al Al27 1 0.04246362 0.64431766 0.66485061 1.0 Al Al28 1 0.60185505 0.64431766 0.66485061 1.0 Al Al29 1 0.25859126 0.98561225 0.33112418 1.0 Al Al30 1 0.72702099 0.98561225 0.33112418 1.0 Al Al31 1 0.74140813 0.01438755 0.66887636 1.0 Al Al32 1 0.27297942 0.01438755 0.66887636 1.0 Al Al33 1 0.14380853 0.72477047 0.47771080 1.0 Al Al34 1 0.58096194 0.72477047 0.47771080 1.0 Al Al35 1 0.85619098 0.27522901 0.52228819 1.0 Al Al36 1 0.41903802 0.27522901 0.52228819 1.0 Al Al37 1 0.75104484 0.99999964 0.99999946 1.0 Al Al38 1 0.24895480 0.99999964 0.99999946 1.0 Fe Fe39 1 0.08457494 0.16914989 0.38199386 1.0 Fe Fe40 1 0.91542478 0.83084956 0.61800564 1.0 Fe Fe41 1 0.40206854 0.80413807 0.62372475 1.0 Fe Fe42 1 0.59793159 0.19586219 0.37627537 1.0 Fe Fe43 1 0.09082924 0.18165749 0.98786000 1.0 Fe Fe44 1 0.90917059 0.81834219 0.01213991 1.0 Fe Fe45 1 0.40331744 0.80663488 0.98552375 1.0 Fe Fe46 1 0.59668252 0.19336503 0.01447605 1.0 Fe Fe47 1 0.02496836 0.63877170 0.27691777 1.0 Fe Fe48 1 0.61380334 0.63877170 0.27691777 1.0 Fe Fe49 1 0.97502914 0.36122860 0.72308238 1.0 Fe Fe50 1 0.38619947 0.36122860 0.72308238 1.0