# generated using pymatgen data_NdAl4Cu9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22900781 _cell_length_b 8.22900754 _cell_length_c 8.22900759 _cell_angle_alpha 120.08428130 _cell_angle_beta 120.08428204 _cell_angle_gamma 89.85408356 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAl4Cu9 _chemical_formula_sum 'Nd2 Al8 Cu18' _cell_volume 393.52493809 _cell_formula_units_Z 2 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 Nd Nd0 1 0.75000000 0.75000000 0.00000000 1.0 Nd Nd1 1 0.25000000 0.25000000 0.00000000 1.0 Al Al2 1 0.05916003 0.55916003 0.86088237 1.0 Al Al3 1 0.69827767 0.19827767 0.13911763 1.0 Al Al4 1 0.55916003 0.69827767 0.50000000 1.0 Al Al5 1 0.19827767 0.05916003 0.50000000 1.0 Al Al6 1 0.94083997 0.44083997 0.13911763 1.0 Al Al7 1 0.30172233 0.80172233 0.86088237 1.0 Al Al8 1 0.44083997 0.30172233 0.50000000 1.0 Al Al9 1 0.80172233 0.94083997 0.50000000 1.0 Cu Cu10 1 0.06030699 0.20355614 0.26386413 1.0 Cu Cu11 1 0.93969301 0.79644386 0.73613587 1.0 Cu Cu12 1 0.56030699 0.29644386 0.85674985 1.0 Cu Cu13 1 0.43969301 0.70355614 0.14325015 1.0 Cu Cu14 1 0.79644386 0.06030699 0.85674985 1.0 Cu Cu15 1 0.20355614 0.93969301 0.14325015 1.0 Cu Cu16 1 0.70355614 0.56030699 0.26386413 1.0 Cu Cu17 1 0.29644386 0.43969301 0.73613587 1.0 Cu Cu18 1 0.43750144 0.93750144 0.73169097 1.0 Cu Cu19 1 0.20581047 0.70581047 0.26830903 1.0 Cu Cu20 1 0.93750144 0.20581047 0.50000000 1.0 Cu Cu21 1 0.70581047 0.43750144 0.50000000 1.0 Cu Cu22 1 0.56249856 0.06249856 0.26830903 1.0 Cu Cu23 1 0.79418953 0.29418953 0.73169097 1.0 Cu Cu24 1 0.06249856 0.79418953 0.50000000 1.0 Cu Cu25 1 0.29418953 0.56249856 0.50000000 1.0 Cu Cu26 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu27 1 0.50000000 0.00000000 0.50000000 1.0