# generated using pymatgen data_MgAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88672030 _cell_length_b 10.54786348 _cell_length_c 24.00663391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.20339426 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAu3 _chemical_formula_sum 'Mg20 Au60' _cell_volume 1431.41567594 _cell_formula_units_Z 20 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 Mg Mg0 1 0.04199947 0.08399893 0.20144073 1.0 Mg Mg1 1 0.87579880 0.75159759 0.00000000 1.0 Mg Mg2 1 0.04248253 0.08496507 0.60013382 1.0 Mg Mg3 1 0.45906957 0.91813914 0.09977228 1.0 Mg Mg4 1 0.70621862 0.41243724 0.70124512 1.0 Mg Mg5 1 0.70675644 0.41351287 0.10000538 1.0 Mg Mg6 1 0.04248253 0.08496507 0.39986618 1.0 Mg Mg7 1 0.62621016 0.25242031 0.50000000 1.0 Mg Mg8 1 0.04199947 0.08399893 0.79855927 1.0 Mg Mg9 1 0.70621862 0.41243724 0.29875488 1.0 Mg Mg10 1 0.45906957 0.91813914 0.90022772 1.0 Mg Mg11 1 0.87435266 0.74870533 0.50000000 1.0 Mg Mg12 1 0.45824396 0.91648792 0.29815732 1.0 Mg Mg13 1 0.29014214 0.58028427 0.79833465 1.0 Mg Mg14 1 0.70675644 0.41351287 0.89999462 1.0 Mg Mg15 1 0.45824396 0.91648792 0.70184268 1.0 Mg Mg16 1 0.12318982 0.24637965 0.00000000 1.0 Mg Mg17 1 0.29035899 0.58071797 0.40036628 1.0 Mg Mg18 1 0.29014214 0.58028427 0.20166535 1.0 Mg Mg19 1 0.29035899 0.58071797 0.59963372 1.0 Au Au20 1 0.41707811 0.33301314 0.19946125 1.0 Au Au21 1 0.37540109 0.75080218 0.50000000 1.0 Au Au22 1 0.20866264 0.41732528 0.69983046 1.0 Au Au23 1 0.41707811 0.33301314 0.80053875 1.0 Au Au24 1 0.91450407 0.33360005 0.40016439 1.0 Au Au25 1 0.16778904 0.83351580 0.40004782 1.0 Au Au26 1 0.49992717 0.50133364 0.50000000 1.0 Au Au27 1 0.91593503 0.33301314 0.19946125 1.0 Au Au28 1 0.41909597 0.33360005 0.40016439 1.0 Au Au29 1 0.58027628 0.66371176 0.69939729 1.0 Au Au30 1 0.79243182 0.58486363 0.40029204 1.0 Au Au31 1 0.79144771 0.58289541 0.80032770 1.0 Au Au32 1 0.62671191 0.25342382 0.00000000 1.0 Au Au33 1 0.66572677 0.83351580 0.40004782 1.0 Au Au34 1 0.08343547 0.66371176 0.69939729 1.0 Au Au35 1 0.16778507 0.83248144 0.19936849 1.0 Au Au36 1 0.20866264 0.41732528 0.30016954 1.0 Au Au37 1 0.54071381 0.08142762 0.40003795 1.0 Au Au38 1 0.33106302 0.16383068 0.30053888 1.0 Au Au39 1 0.95661258 0.91322517 0.69987695 1.0 Au Au40 1 0.08343547 0.66371176 0.30060271 1.0 Au Au41 1 0.37452731 0.74905462 0.00000000 1.0 Au Au42 1 0.79144771 0.58289541 0.19967230 1.0 Au Au43 1 0.12292606 0.24585212 0.50000000 1.0 Au Au44 1 0.53960064 0.07920129 0.80007553 1.0 Au Au45 1 0.58027628 0.66371176 0.30060271 1.0 Au Au46 1 0.95661258 0.91322517 0.30012305 1.0 Au Au47 1 0.41909597 0.33360005 0.59983561 1.0 Au Au48 1 0.83471039 0.16506217 0.09996069 1.0 Au Au49 1 0.66469637 0.83248144 0.80063151 1.0 Au Au50 1 0.00140647 0.50133364 0.50000000 1.0 Au Au51 1 0.66469637 0.83248144 0.19936849 1.0 Au Au52 1 0.83276765 0.16383068 0.69946112 1.0 Au Au53 1 0.95709774 0.91419548 0.90006881 1.0 Au Au54 1 0.16778904 0.83351580 0.59995218 1.0 Au Au55 1 0.58184165 0.66524739 0.90024747 1.0 Au Au56 1 0.75241922 0.00105982 0.50000000 1.0 Au Au57 1 0.83471039 0.16506217 0.90003931 1.0 Au Au58 1 0.16778507 0.83248144 0.80063151 1.0 Au Au59 1 0.24981251 0.99824759 0.00000000 1.0 Au Au60 1 0.53960064 0.07920129 0.19992447 1.0 Au Au61 1 0.33035178 0.16506217 0.90003931 1.0 Au Au62 1 0.08340574 0.66524739 0.90024747 1.0 Au Au63 1 0.66572677 0.83351580 0.59995218 1.0 Au Au64 1 0.24864060 0.00105982 0.50000000 1.0 Au Au65 1 0.20862009 0.41724019 0.90017075 1.0 Au Au66 1 0.95709774 0.91419548 0.09993119 1.0 Au Au67 1 0.08340574 0.66524739 0.09975253 1.0 Au Au68 1 0.91450407 0.33360005 0.59983561 1.0 Au Au69 1 0.58184165 0.66524739 0.09975253 1.0 Au Au70 1 0.91593503 0.33301314 0.80053875 1.0 Au Au71 1 0.83276765 0.16383068 0.30053888 1.0 Au Au72 1 0.74843508 0.99824759 0.00000000 1.0 Au Au73 1 0.33035178 0.16506217 0.09996069 1.0 Au Au74 1 0.20862009 0.41724019 0.09982925 1.0 Au Au75 1 0.54071381 0.08142762 0.59996205 1.0 Au Au76 1 0.33106302 0.16383068 0.69946112 1.0 Au Au77 1 0.99733341 0.49839880 0.00000000 1.0 Au Au78 1 0.50106540 0.49839880 0.00000000 1.0 Au Au79 1 0.79243182 0.58486363 0.59970796 1.0