# generated using pymatgen data_Nd3Sb5Pd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44869637 _cell_length_b 10.19974387 _cell_length_c 13.46458715 _cell_angle_alpha 89.99811380 _cell_angle_beta 89.99999278 _cell_angle_gamma 89.99991312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Sb5Pd6 _chemical_formula_sum 'Nd6 Sb10 Pd12' _cell_volume 610.96322946 _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 0.00000072 0.24251098 -0.00000131 1.0 Nd Nd1 1 0.49999981 0.75748025 0.50000190 1.0 Nd Nd2 1 0.00000031 0.24680838 0.32609741 1.0 Nd Nd3 1 0.50000009 0.75319771 0.17392031 1.0 Nd Nd4 1 0.00000039 0.24681626 0.67393095 1.0 Nd Nd5 1 0.49999940 0.75319722 0.82606890 1.0 Sb Sb6 1 -0.00000014 0.52097186 0.12792020 1.0 Sb Sb7 1 0.49999844 0.47902682 0.37207235 1.0 Sb Sb8 1 -0.00000089 0.52101692 0.87207535 1.0 Sb Sb9 1 0.49999573 0.47899846 0.62790854 1.0 Sb Sb10 1 0.00000029 0.86256114 0.33607469 1.0 Sb Sb11 1 0.50000251 0.13741815 0.16397597 1.0 Sb Sb12 1 0.00000007 0.86256260 0.66391609 1.0 Sb Sb13 1 0.50000069 0.13743031 0.83604673 1.0 Sb Sb14 1 0.00000045 0.83464937 -0.00001917 1.0 Sb Sb15 1 0.50000210 0.16538175 0.50001194 1.0 Pd Pd16 1 0.00000190 0.99217842 0.16103754 1.0 Pd Pd17 1 0.50000030 0.00784314 0.33897649 1.0 Pd Pd18 1 0.00000004 0.99217332 0.83892409 1.0 Pd Pd19 1 0.50000040 0.00784201 0.66106231 1.0 Pd Pd20 1 0.50000081 0.98568723 -0.00000258 1.0 Pd Pd21 1 0.00000106 0.01431607 0.50001253 1.0 Pd Pd22 1 -0.00000139 0.60726135 0.31871687 1.0 Pd Pd23 1 0.49999938 0.39273743 0.18131492 1.0 Pd Pd24 1 -0.00000550 0.60724860 0.68129236 1.0 Pd Pd25 1 0.50000300 0.39276994 0.81867001 1.0 Pd Pd26 1 0.49999983 0.52332649 -0.00000475 1.0 Pd Pd27 1 0.00000019 0.47658782 0.49999936 1.0