# generated using pymatgen data_Mn9Au31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.93632500 _cell_length_b 12.93632500 _cell_length_c 4.02270700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn9Au31 _chemical_formula_sum 'Mn9 Au31' _cell_volume 673.19400051 _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 Mn Mn0 1 0.64970300 0.94965300 0.50000000 1.0 Mn Mn1 1 0.94965300 0.35029700 0.50000000 1.0 Mn Mn2 1 0.05034700 0.64970300 0.50000000 1.0 Mn Mn3 1 0.35029700 0.05034700 0.50000000 1.0 Mn Mn4 1 0.70236100 0.60198200 0.00000000 1.0 Mn Mn5 1 0.60198200 0.29763900 0.00000000 1.0 Mn Mn6 1 0.39801800 0.70236100 0.00000000 1.0 Mn Mn7 1 0.29763900 0.39801800 0.00000000 1.0 Mn Mn8 1 0.00000000 0.00000000 0.00000000 1.0 Au Au9 1 0.69732800 0.09856400 0.00000000 1.0 Au Au10 1 0.90143600 0.69732800 0.00000000 1.0 Au Au11 1 0.40024700 0.19976500 0.00000000 1.0 Au Au12 1 0.19976500 0.59975300 0.00000000 1.0 Au Au13 1 0.80023500 0.40024700 0.00000000 1.0 Au Au14 1 0.59975300 0.80023500 0.00000000 1.0 Au Au15 1 0.04630900 0.14833700 0.50000000 1.0 Au Au16 1 0.14833700 0.95369100 0.50000000 1.0 Au Au17 1 0.85166300 0.04630900 0.50000000 1.0 Au Au18 1 0.95369100 0.85166300 0.50000000 1.0 Au Au19 1 0.25382400 0.25257600 0.50000000 1.0 Au Au20 1 0.25257600 0.74617600 0.50000000 1.0 Au Au21 1 0.74742400 0.25382400 0.50000000 1.0 Au Au22 1 0.74617600 0.74742400 0.50000000 1.0 Au Au23 1 0.15012700 0.44977500 0.50000000 1.0 Au Au24 1 0.44977500 0.84987300 0.50000000 1.0 Au Au25 1 0.55022500 0.15012700 0.50000000 1.0 Au Au26 1 0.84987300 0.55022500 0.50000000 1.0 Au Au27 1 0.45303900 0.35024500 0.50000000 1.0 Au Au28 1 0.35024500 0.54696100 0.50000000 1.0 Au Au29 1 0.64975500 0.45303900 0.50000000 1.0 Au Au30 1 0.54696100 0.64975500 0.50000000 1.0 Au Au31 1 0.30267200 0.90143600 0.00000000 1.0 Au Au32 1 0.09856400 0.30267200 0.00000000 1.0 Au Au33 1 0.79710700 0.90228400 0.00000000 1.0 Au Au34 1 0.90228400 0.20289300 0.00000000 1.0 Au Au35 1 0.09771600 0.79710700 0.00000000 1.0 Au Au36 1 0.20289300 0.09771600 0.00000000 1.0 Au Au37 1 0.00000000 0.50000000 0.00000000 1.0 Au Au38 1 0.50000000 0.00000000 0.00000000 1.0 Au Au39 1 0.50000000 0.50000000 0.00000000 1.0