# generated using pymatgen data_NaNd3(Sn2Ir)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44483620 _cell_length_b 7.27088614 _cell_length_c 18.51122919 _cell_angle_alpha 89.86945035 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNd3(Sn2Ir)8 _chemical_formula_sum 'Na1 Nd3 Sn16 Ir8' _cell_volume 598.24246291 _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 Na Na0 1 0.25000000 0.01057067 0.85583339 1.0 Nd Nd1 1 0.75000000 0.99509301 0.13957883 1.0 Nd Nd2 1 0.75000000 0.50315674 0.64593777 1.0 Nd Nd3 1 0.25000000 0.49491791 0.35817023 1.0 Sn Sn4 1 0.25000000 0.27280484 0.19307055 1.0 Sn Sn5 1 0.75000000 0.97664906 0.56652250 1.0 Sn Sn6 1 0.75000000 0.29506172 0.82009963 1.0 Sn Sn7 1 0.25000000 0.12820788 0.02793615 1.0 Sn Sn8 1 0.75000000 0.19492951 0.31739844 1.0 Sn Sn9 1 0.25000000 0.48354548 0.93111002 1.0 Sn Sn10 1 0.75000000 0.87240588 0.96216692 1.0 Sn Sn11 1 0.25000000 0.36740715 0.53442166 1.0 Sn Sn12 1 0.25000000 0.69497509 0.18291105 1.0 Sn Sn13 1 0.75000000 0.52512076 0.06683964 1.0 Sn Sn14 1 0.75000000 0.73362635 0.80853257 1.0 Sn Sn15 1 0.25000000 0.02218722 0.43371247 1.0 Sn Sn16 1 0.75000000 0.77504973 0.30587750 1.0 Sn Sn17 1 0.75000000 0.62880605 0.46885436 1.0 Sn Sn18 1 0.25000000 0.22094546 0.69692962 1.0 Sn Sn19 1 0.25000000 0.80377191 0.68387936 1.0 Ir Ir20 1 0.25000000 0.51672914 0.78451296 1.0 Ir Ir21 1 0.25000000 0.74798762 0.03692382 1.0 Ir Ir22 1 0.75000000 0.24763754 0.46465350 1.0 Ir Ir23 1 0.25000000 0.98176551 0.28675886 1.0 Ir Ir24 1 0.25000000 0.75135939 0.53539941 1.0 Ir Ir25 1 0.75000000 0.25748098 0.96573133 1.0 Ir Ir26 1 0.75000000 0.01627811 0.71178999 1.0 Ir Ir27 1 0.75000000 0.48152726 0.21444747 1.0