# generated using pymatgen data_Mn3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41922900 _cell_length_b 4.41922900 _cell_length_c 9.28129300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Au _chemical_formula_sum 'Mn9 Au3' _cell_volume 181.25980013 _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 Mn Mn0 1 0.50000000 0.50000000 0.67772700 1.0 Mn Mn1 1 0.50000000 0.50000000 0.32227300 1.0 Mn Mn2 1 0.50000000 0.00000000 0.16458000 1.0 Mn Mn3 1 0.00000000 0.50000000 0.16458000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.32759900 1.0 Mn Mn5 1 0.50000000 0.00000000 0.83542000 1.0 Mn Mn6 1 0.00000000 0.00000000 0.67240100 1.0 Mn Mn7 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn8 1 0.00000000 0.50000000 0.83542000 1.0 Au Au9 1 0.50000000 0.00000000 0.50000000 1.0 Au Au10 1 0.00000000 0.00000000 0.00000000 1.0 Au Au11 1 0.00000000 0.50000000 0.50000000 1.0