# generated using pymatgen data_Er6Al7Cu16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64775754 _cell_length_b 8.64775754 _cell_length_c 8.64775754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Al7Cu16 _chemical_formula_sum 'Er6 Al7 Cu16' _cell_volume 457.29401396 _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 Er Er0 1 0.71264000 0.71264000 0.28736000 1.0 Er Er1 1 0.28736000 0.71264000 0.28736000 1.0 Er Er2 1 0.71264000 0.28736000 0.28736000 1.0 Er Er3 1 0.28736000 0.28736000 0.71264000 1.0 Er Er4 1 0.71264000 0.28736000 0.71264000 1.0 Er Er5 1 0.28736000 0.71264000 0.71264000 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 0.87785000 0.87785000 0.36644900 1.0 Cu Cu14 1 0.87785000 0.36644900 0.87785000 1.0 Cu Cu15 1 0.36644900 0.87785000 0.87785000 1.0 Cu Cu16 1 0.87785000 0.87785000 0.87785000 1.0 Cu Cu17 1 0.12215000 0.12215000 0.63355100 1.0 Cu Cu18 1 0.12215000 0.63355100 0.12215000 1.0 Cu Cu19 1 0.63355100 0.12215000 0.12215000 1.0 Cu Cu20 1 0.12215000 0.12215000 0.12215000 1.0 Cu Cu21 1 0.67262900 0.67262900 0.98211200 1.0 Cu Cu22 1 0.67262900 0.98211200 0.67262900 1.0 Cu Cu23 1 0.98211200 0.67262900 0.67262900 1.0 Cu Cu24 1 0.67262900 0.67262900 0.67262900 1.0 Cu Cu25 1 0.32737100 0.32737100 0.01788800 1.0 Cu Cu26 1 0.32737100 0.01788800 0.32737100 1.0 Cu Cu27 1 0.01788800 0.32737100 0.32737100 1.0 Cu Cu28 1 0.32737100 0.32737100 0.32737100 1.0