# generated using pymatgen data_Zr6AlZn5Cu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38487615 _cell_length_b 6.11278740 _cell_length_c 13.13877508 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99701880 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6AlZn5Cu12 _chemical_formula_sum 'Zr6 Al1 Zn5 Cu12' _cell_volume 352.16930481 _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 Zr Zr0 1 0.00000000 0.50000000 0.00000000 1.0 Zr Zr1 1 0.50044509 0.00000000 0.16795496 1.0 Zr Zr2 1 0.00038694 0.50000000 0.33349698 1.0 Zr Zr3 1 0.50000100 0.00000000 0.50000000 1.0 Zr Zr4 1 0.99961206 0.50000000 0.66650302 1.0 Zr Zr5 1 0.49955591 0.00000000 0.83204504 1.0 Al Al6 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn7 1 0.50032212 0.50000000 0.16638474 1.0 Zn Zn8 1 0.00035987 0.00000000 0.33358058 1.0 Zn Zn9 1 0.50000100 0.50000000 0.50000000 1.0 Zn Zn10 1 0.99964113 0.00000000 0.66641942 1.0 Zn Zn11 1 0.49967688 0.50000000 0.83361526 1.0 Cu Cu12 1 0.50000100 0.24759749 0.00000000 1.0 Cu Cu13 1 0.50000100 0.75240151 0.00000000 1.0 Cu Cu14 1 0.00050542 0.24972933 0.16650074 1.0 Cu Cu15 1 0.00050542 0.75026967 0.16650074 1.0 Cu Cu16 1 0.50046787 0.25115277 0.33340896 1.0 Cu Cu17 1 0.50046787 0.74884723 0.33340896 1.0 Cu Cu18 1 0.00000000 0.25031313 0.50000000 1.0 Cu Cu19 1 0.00000000 0.74968687 0.50000000 1.0 Cu Cu20 1 0.49953413 0.25115277 0.66659104 1.0 Cu Cu21 1 0.49953413 0.74884723 0.66659104 1.0 Cu Cu22 1 0.99949658 0.24972933 0.83349926 1.0 Cu Cu23 1 0.99949658 0.75026967 0.83349926 1.0