# generated using pymatgen data_NdCu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05180098 _cell_length_b 7.99540901 _cell_length_c 10.03137402 _cell_angle_alpha 89.99959087 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdCu6 _chemical_formula_sum 'Nd4 Cu24' _cell_volume 405.17938551 _cell_formula_units_Z 4 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 0.25000000 0.26097832 0.56348768 1.0 Nd Nd1 1 0.25000000 0.76099368 0.93648082 1.0 Nd Nd2 1 0.75000000 0.73902312 0.43662598 1.0 Nd Nd3 1 0.75000000 0.23899974 0.06340853 1.0 Cu Cu4 1 0.25000000 0.14856116 0.85700108 1.0 Cu Cu5 1 0.25000000 0.64859854 0.64294274 1.0 Cu Cu6 1 0.75000000 0.85144648 0.14294586 1.0 Cu Cu7 1 0.75000000 0.35140884 0.35710941 1.0 Cu Cu8 1 0.25000000 0.81908653 0.24491025 1.0 Cu Cu9 1 0.25000000 0.31907228 0.25515135 1.0 Cu Cu10 1 0.75000000 0.18092178 0.75512499 1.0 Cu Cu11 1 0.75000000 0.68093820 0.74480845 1.0 Cu Cu12 1 0.25000000 0.56449415 0.40213190 1.0 Cu Cu13 1 0.25000000 0.06449720 0.09792205 1.0 Cu Cu14 1 0.75000000 0.43550224 0.59792993 1.0 Cu Cu15 1 0.75000000 0.93549995 0.90201666 1.0 Cu Cu16 1 0.25000000 0.90218704 0.48354212 1.0 Cu Cu17 1 0.25000000 0.40218042 0.01645670 1.0 Cu Cu18 1 0.75000000 0.09782145 0.51651906 1.0 Cu Cu19 1 0.75000000 0.59782347 0.98348298 1.0 Cu Cu20 1 0.00449995 0.43369809 0.80972870 1.0 Cu Cu21 1 0.49549862 0.93368876 0.69019370 1.0 Cu Cu22 1 0.50447178 0.56629325 0.19022048 1.0 Cu Cu23 1 0.99552442 0.06630259 0.30985736 1.0 Cu Cu24 1 0.99552922 0.56629325 0.19022048 1.0 Cu Cu25 1 0.50447558 0.06630259 0.30985836 1.0 Cu Cu26 1 0.49550005 0.43369809 0.80972870 1.0 Cu Cu27 1 0.00450238 0.93368876 0.69019370 1.0