# generated using pymatgen data_Zr6Al7Cu16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38642600 _cell_length_b 8.38642601 _cell_length_c 8.38642600 _cell_angle_alpha 59.99999997 _cell_angle_beta 60.00000006 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al7Cu16 _chemical_formula_sum 'Zr6 Al7 Cu16' _cell_volume 417.07653830 _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 0.70673853 0.70673853 0.29326147 1.0 Zr Zr1 1 0.29326153 0.70673847 0.29326153 1.0 Zr Zr2 1 0.70673853 0.29326147 0.29326147 1.0 Zr Zr3 1 0.29326147 0.29326147 0.70673853 1.0 Zr Zr4 1 0.70673847 0.29326153 0.70673847 1.0 Zr Zr5 1 0.29326147 0.70673853 0.70673853 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 0.88051718 0.88051686 0.35845009 1.0 Cu Cu14 1 0.88051686 0.35845009 0.88051686 1.0 Cu Cu15 1 0.35845009 0.88051686 0.88051718 1.0 Cu Cu16 1 0.88051686 0.88051718 0.88051686 1.0 Cu Cu17 1 0.11948282 0.11948314 0.64154991 1.0 Cu Cu18 1 0.11948314 0.64154991 0.11948314 1.0 Cu Cu19 1 0.64154991 0.11948314 0.11948282 1.0 Cu Cu20 1 0.11948314 0.11948282 0.11948314 1.0 Cu Cu21 1 0.67159140 0.67159163 0.98522535 1.0 Cu Cu22 1 0.67159163 0.98522535 0.67159163 1.0 Cu Cu23 1 0.98522535 0.67159163 0.67159140 1.0 Cu Cu24 1 0.67159163 0.67159140 0.67159163 1.0 Cu Cu25 1 0.32840860 0.32840837 0.01477465 1.0 Cu Cu26 1 0.32840837 0.01477465 0.32840837 1.0 Cu Cu27 1 0.01477465 0.32840837 0.32840860 1.0 Cu Cu28 1 0.32840837 0.32840860 0.32840837 1.0