# generated using pymatgen data_BaGeAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13786608 _cell_length_b 6.13786608 _cell_length_c 6.13786608 _cell_angle_alpha 133.95467138 _cell_angle_beta 133.95467138 _cell_angle_gamma 67.15881598 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGeAu3 _chemical_formula_sum 'Ba1 Ge1 Au3' _cell_volume 117.86499185 _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 0.00541257 0.00541257 0.00000000 1.0 Ge Ge1 1 0.35794589 0.35794589 0.00000000 1.0 Au Au2 1 0.76424806 0.26424806 0.50000000 1.0 Au Au3 1 0.26424806 0.76424806 0.50000000 1.0 Au Au4 1 0.60814643 0.60814643 -0.00000000 1.0