# generated using pymatgen data_Zr6Al7(CuPd)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54699295 _cell_length_b 8.54699342 _cell_length_c 8.54699328 _cell_angle_alpha 60.00000053 _cell_angle_beta 59.99999870 _cell_angle_gamma 59.99999438 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al7(CuPd)8 _chemical_formula_sum 'Zr6 Al7 Cu8 Pd8' _cell_volume 441.49425706 _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 0.70207511 0.70207511 0.29792489 1.0 Zr Zr1 1 0.29792489 0.70207511 0.29792489 1.0 Zr Zr2 1 0.70207511 0.29792489 0.29792489 1.0 Zr Zr3 1 0.29792489 0.29792489 0.70207511 1.0 Zr Zr4 1 0.70207511 0.29792489 0.70207511 1.0 Zr Zr5 1 0.29792489 0.70207511 0.70207511 1.0 Al Al6 1 0.00000000 0.00000000 0.00000000 1.0 Al Al7 1 0.00000000 0.00000000 0.50000000 1.0 Al Al8 1 0.50000000 0.00000000 0.50000000 1.0 Al Al9 1 0.00000000 0.50000000 0.50000000 1.0 Al Al10 1 0.50000000 0.50000000 0.00000000 1.0 Al Al11 1 0.00000000 0.50000000 0.00000000 1.0 Al Al12 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu13 1 0.66898433 0.66898433 0.99304701 1.0 Cu Cu14 1 0.66898433 0.99304701 0.66898433 1.0 Cu Cu15 1 0.99304701 0.66898433 0.66898433 1.0 Cu Cu16 1 0.66898433 0.66898433 0.66898433 1.0 Cu Cu17 1 0.33101567 0.33101567 0.00695299 1.0 Cu Cu18 1 0.33101567 0.00695299 0.33101567 1.0 Cu Cu19 1 0.00695299 0.33101567 0.33101567 1.0 Cu Cu20 1 0.33101567 0.33101567 0.33101567 1.0 Pd Pd21 1 0.88011877 0.88011877 0.35964570 1.0 Pd Pd22 1 0.88011877 0.35964570 0.88011877 1.0 Pd Pd23 1 0.35964570 0.88011877 0.88011877 1.0 Pd Pd24 1 0.88011877 0.88011877 0.88011877 1.0 Pd Pd25 1 0.11988123 0.11988123 0.64035430 1.0 Pd Pd26 1 0.11988123 0.64035430 0.11988123 1.0 Pd Pd27 1 0.64035430 0.11988123 0.11988123 1.0 Pd Pd28 1 0.11988123 0.11988123 0.11988123 1.0