# generated using pymatgen data_Sc3Al3GeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74229190 _cell_length_b 6.74229205 _cell_length_c 8.32329264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999926 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Al3GeAu2 _chemical_formula_sum 'Sc6 Al6 Ge2 Au4' _cell_volume 327.67319100 _cell_formula_units_Z 2 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 Sc Sc0 1 0.57290478 0.99681207 0.75000000 1.0 Sc Sc1 1 0.00318793 0.57609271 0.75000000 1.0 Sc Sc2 1 0.42390729 0.42709522 0.75000000 1.0 Sc Sc3 1 0.00329176 0.57606062 0.25000000 1.0 Sc Sc4 1 0.57276985 0.99670824 0.25000000 1.0 Sc Sc5 1 0.42393938 0.42723015 0.25000000 1.0 Al Al6 1 0.74838907 0.75991847 0.99999053 1.0 Al Al7 1 0.24008153 0.98846959 0.99999053 1.0 Al Al8 1 0.01153041 0.25161093 0.99999053 1.0 Al Al9 1 0.74838907 0.75991847 0.50000947 1.0 Al Al10 1 0.24008153 0.98846959 0.50000947 1.0 Al Al11 1 0.01153041 0.25161093 0.50000947 1.0 Ge Ge12 1 0.66666700 0.33333300 0.00000538 1.0 Ge Ge13 1 0.66666700 0.33333300 0.49999462 1.0 Au Au14 1 0.00000000 0.00000000 0.75000000 1.0 Au Au15 1 0.00000000 0.00000000 0.25000000 1.0 Au Au16 1 0.33333300 0.66666700 0.49992228 1.0 Au Au17 1 0.33333300 0.66666700 0.00007772 1.0