# generated using pymatgen data_Ba4BeSi7Au20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88872735 _cell_length_b 9.08097866 _cell_length_c 10.56039587 _cell_angle_alpha 89.80068910 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4BeSi7Au20 _chemical_formula_sum 'Ba4 Be1 Si7 Au20' _cell_volume 660.61620423 _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 Ba Ba0 1 0.25000000 0.20659200 0.09844419 1.0 Ba Ba1 1 0.25000000 0.70591282 0.40221140 1.0 Ba Ba2 1 0.75000000 0.79716986 0.90182224 1.0 Ba Ba3 1 0.75000000 0.29196623 0.59830312 1.0 Be Be4 1 0.25000000 0.07859037 0.61389758 1.0 Si Si5 1 0.25000000 0.57111861 0.87957777 1.0 Si Si6 1 0.75000000 0.92518709 0.38532882 1.0 Si Si7 1 0.75000000 0.43487175 0.12392941 1.0 Si Si8 1 0.25000000 0.30311473 0.44294813 1.0 Si Si9 1 0.25000000 0.81610609 0.05968330 1.0 Si Si10 1 0.75000000 0.68782977 0.55804455 1.0 Si Si11 1 0.75000000 0.18595894 0.92991591 1.0 Au Au12 1 0.04294541 0.07877169 0.39773493 1.0 Au Au13 1 0.45724102 0.58737413 0.11024725 1.0 Au Au14 1 0.53152375 0.91332676 0.61583555 1.0 Au Au15 1 0.95778261 0.41543982 0.89192232 1.0 Au Au16 1 0.96847625 0.91332676 0.61583555 1.0 Au Au17 1 0.54221739 0.41543982 0.89192232 1.0 Au Au18 1 0.45705459 0.07877169 0.39773493 1.0 Au Au19 1 0.04275898 0.58737413 0.11024725 1.0 Au Au20 1 0.03839648 0.11391495 0.81189963 1.0 Au Au21 1 0.47001917 0.60925924 0.67911272 1.0 Au Au22 1 0.53339301 0.89390074 0.18000625 1.0 Au Au23 1 0.97014105 0.38556740 0.32184158 1.0 Au Au24 1 0.96660699 0.89390074 0.18000625 1.0 Au Au25 1 0.52985895 0.38556740 0.32184158 1.0 Au Au26 1 0.46160352 0.11391495 0.81189963 1.0 Au Au27 1 0.02998083 0.60925924 0.67911272 1.0 Au Au28 1 0.25000000 0.34129985 0.66841744 1.0 Au Au29 1 0.25000000 0.84485962 0.83009239 1.0 Au Au30 1 0.75000000 0.65319757 0.33131429 1.0 Au Au31 1 0.75000000 0.16111321 0.15887304 1.0