# generated using pymatgen data_Th14Au51 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24253160 _cell_length_b 12.82545525 _cell_length_c 12.82495864 _cell_angle_alpha 119.99974655 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th14Au51 _chemical_formula_sum 'Th14 Au51' _cell_volume 1316.59271554 _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 Th Th0 1 0.29879812 0.00000632 0.00000981 1.0 Th Th1 1 0.70120188 0.00000632 0.00000981 1.0 Th Th2 1 -0.00000000 0.27174964 0.88811648 1.0 Th Th3 1 -0.00000000 0.11186872 0.38363109 1.0 Th Th4 1 -0.00000000 0.61635992 0.72824653 1.0 Th Th5 1 -0.00000000 0.71470519 0.11348378 1.0 Th Th6 1 -0.00000000 0.88653970 0.60121753 1.0 Th Th7 1 -0.00000000 0.39876864 0.28529522 1.0 Th Th8 1 0.50000000 0.68159498 0.53428385 1.0 Th Th9 1 0.50000000 0.46571207 0.14730019 1.0 Th Th10 1 0.50000000 0.85270667 0.31841368 1.0 Th Th11 1 0.50000000 0.32137120 0.46850041 1.0 Th Th12 1 0.50000000 0.53149002 0.85288137 1.0 Th Th13 1 0.50000000 0.14711364 0.67860845 1.0 Au Au14 1 0.15142070 0.62416802 0.50872018 1.0 Au Au15 1 0.15142011 0.49127385 0.11543904 1.0 Au Au16 1 0.15141960 0.88455879 0.37583210 1.0 Au Au17 1 0.15073179 0.38249624 0.49832714 1.0 Au Au18 1 0.15073155 0.50167274 0.88418304 1.0 Au Au19 1 0.15073017 0.11582780 0.61749121 1.0 Au Au20 1 0.84926821 0.38249624 0.49832714 1.0 Au Au21 1 0.84926845 0.50167274 0.88418304 1.0 Au Au22 1 0.84926983 0.11582780 0.61749121 1.0 Au Au23 1 0.84857930 0.62416802 0.50872018 1.0 Au Au24 1 0.84857989 0.49127385 0.11543904 1.0 Au Au25 1 0.84858040 0.88455879 0.37583210 1.0 Au Au26 1 0.33906895 0.34066349 0.90027804 1.0 Au Au27 1 0.33906895 0.09970983 0.44038599 1.0 Au Au28 1 0.33907493 0.55960247 0.65932252 1.0 Au Au29 1 0.33805561 0.65429541 0.09928616 1.0 Au Au30 1 0.33805683 0.90072840 0.55500635 1.0 Au Au31 1 0.33805878 0.44499046 0.34571372 1.0 Au Au32 1 0.66194439 0.65429541 0.09928616 1.0 Au Au33 1 0.66194317 0.90072840 0.55500635 1.0 Au Au34 1 0.66194122 0.44499046 0.34571372 1.0 Au Au35 1 0.66093105 0.34066349 0.90027804 1.0 Au Au36 1 0.66093105 0.09970983 0.44038599 1.0 Au Au37 1 0.66092507 0.55960247 0.65932252 1.0 Au Au38 1 -0.00000000 0.66666783 0.33332942 1.0 Au Au39 1 -0.00000000 0.33332478 0.66666599 1.0 Au Au40 1 0.30403808 0.66667363 0.33332736 1.0 Au Au41 1 0.30409629 0.33332264 0.66666641 1.0 Au Au42 1 0.69590371 0.33332264 0.66666641 1.0 Au Au43 1 0.69596192 0.66667363 0.33332736 1.0 Au Au44 1 0.22859800 0.80880994 0.73388304 1.0 Au Au45 1 0.22860144 0.26611712 0.07491436 1.0 Au Au46 1 0.22860008 0.92508335 0.19120586 1.0 Au Au47 1 0.23219106 0.19389210 0.27273191 1.0 Au Au48 1 0.23219454 0.72727609 0.92117780 1.0 Au Au49 1 0.23219268 0.07883457 0.80610134 1.0 Au Au50 1 0.76780894 0.19389210 0.27273191 1.0 Au Au51 1 0.76780546 0.72727609 0.92117780 1.0 Au Au52 1 0.76780732 0.07883457 0.80610134 1.0 Au Au53 1 0.77140200 0.80880994 0.73388304 1.0 Au Au54 1 0.77139856 0.26611712 0.07491436 1.0 Au Au55 1 0.77139992 0.92508335 0.19120586 1.0 Au Au56 1 0.50000000 0.17681943 0.94360499 1.0 Au Au57 1 0.50000000 0.05639260 0.23321102 1.0 Au Au58 1 0.50000000 0.76679315 0.82318584 1.0 Au Au59 1 0.50000000 0.81811637 0.05798009 1.0 Au Au60 1 0.50000000 0.94203433 0.76014509 1.0 Au Au61 1 0.50000000 0.23985660 0.18188973 1.0 Au Au62 1 -0.00000000 0.97317374 0.86411879 1.0 Au Au63 1 -0.00000000 0.13587423 0.10904832 1.0 Au Au64 1 -0.00000000 0.89095898 0.02684038 1.0