# generated using pymatgen data_NdCu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05304487 _cell_length_b 7.99470768 _cell_length_c 10.02670589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.22782664 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdCu6 _chemical_formula_sum 'Nd4 Cu24' _cell_volume 404.96201803 _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 0.74187247 0.23904461 0.93668561 1.0 Nd Nd1 1 0.25812753 0.26095539 0.43668561 1.0 Nd Nd2 1 0.25812753 0.76095539 0.06331439 1.0 Nd Nd3 1 0.74187247 0.73904461 0.56331439 1.0 Cu Cu4 1 0.49833522 0.93330991 0.30709587 1.0 Cu Cu5 1 0.50166478 0.56669009 0.80709587 1.0 Cu Cu6 1 0.50166478 0.06669009 0.69290413 1.0 Cu Cu7 1 0.49833522 0.43330991 0.19290413 1.0 Cu Cu8 1 0.99220086 0.56406217 0.81085245 1.0 Cu Cu9 1 0.00779914 0.93593783 0.31085245 1.0 Cu Cu10 1 0.00779914 0.43593783 0.18914755 1.0 Cu Cu11 1 0.99220086 0.06406217 0.68914755 1.0 Cu Cu12 1 0.75288403 0.85097705 0.85663681 1.0 Cu Cu13 1 0.24711597 0.64902295 0.35663681 1.0 Cu Cu14 1 0.24711597 0.14902295 0.14336319 1.0 Cu Cu15 1 0.75288403 0.35097705 0.64336319 1.0 Cu Cu16 1 0.75145722 0.18165959 0.24468379 1.0 Cu Cu17 1 0.24854278 0.31834041 0.74468379 1.0 Cu Cu18 1 0.24854278 0.81834041 0.75531621 1.0 Cu Cu19 1 0.75145722 0.68165959 0.25531621 1.0 Cu Cu20 1 0.77085824 0.43579163 0.40272615 1.0 Cu Cu21 1 0.22914176 0.06420837 0.90272615 1.0 Cu Cu22 1 0.22914176 0.56420837 0.59727385 1.0 Cu Cu23 1 0.77085824 0.93579163 0.09727385 1.0 Cu Cu24 1 0.74934319 0.09830934 0.48381395 1.0 Cu Cu25 1 0.25065681 0.40169066 0.98381395 1.0 Cu Cu26 1 0.25065681 0.90169066 0.51618605 1.0 Cu Cu27 1 0.74934319 0.59830934 0.01618605 1.0