# generated using pymatgen data_Sc3AlCu2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37177819 _cell_length_b 8.37177847 _cell_length_c 8.37177816 _cell_angle_alpha 59.99999735 _cell_angle_beta 59.99999624 _cell_angle_gamma 60.00000085 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3AlCu2O _chemical_formula_sum 'Sc12 Al4 Cu8 O4' _cell_volume 414.89493853 _cell_formula_units_Z 4 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 0.93921871 0.56078129 0.56078129 1.0 Sc Sc1 1 0.68921871 0.31078129 0.68921871 1.0 Sc Sc2 1 0.93921871 0.56078129 0.93921871 1.0 Sc Sc3 1 0.56078129 0.93921871 0.93921871 1.0 Sc Sc4 1 0.31078129 0.68921871 0.31078129 1.0 Sc Sc5 1 0.56078129 0.93921871 0.56078129 1.0 Sc Sc6 1 0.68921871 0.68921871 0.31078129 1.0 Sc Sc7 1 0.93921871 0.93921871 0.56078129 1.0 Sc Sc8 1 0.31078129 0.31078129 0.68921871 1.0 Sc Sc9 1 0.68921871 0.31078129 0.31078129 1.0 Sc Sc10 1 0.56078129 0.56078129 0.93921871 1.0 Sc Sc11 1 0.31078129 0.68921871 0.68921871 1.0 Al Al12 1 0.12500000 0.62500000 0.12500000 1.0 Al Al13 1 0.12500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.12500000 0.12500000 1.0 Al Al15 1 0.12500000 0.12500000 0.12500000 1.0 Cu Cu16 1 0.24253236 0.91915588 0.91915588 1.0 Cu Cu17 1 0.33084412 0.33084412 0.33084412 1.0 Cu Cu18 1 0.33084412 0.33084412 0.00746764 1.0 Cu Cu19 1 0.91915588 0.24253236 0.91915588 1.0 Cu Cu20 1 0.91915588 0.91915588 0.91915588 1.0 Cu Cu21 1 0.00746764 0.33084412 0.33084412 1.0 Cu Cu22 1 0.91915588 0.91915588 0.24253236 1.0 Cu Cu23 1 0.33084412 0.00746764 0.33084412 1.0 O O24 1 0.62500000 0.12500000 0.62500000 1.0 O O25 1 0.62500000 0.62500000 0.12500000 1.0 O O26 1 0.12500000 0.62500000 0.62500000 1.0 O O27 1 0.62500000 0.62500000 0.62500000 1.0