# generated using pymatgen data_NdSc2NiIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13232778 _cell_length_b 8.77253243 _cell_length_c 8.77253243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdSc2NiIr8 _chemical_formula_sum 'Nd2 Sc4 Ni2 Ir16' _cell_volume 394.97021760 _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 0.00000000 0.50000000 0.50000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc2 1 0.00000000 0.62275097 0.12275097 1.0 Sc Sc3 1 0.00000000 0.37724903 0.87724903 1.0 Sc Sc4 1 0.00000000 0.87724903 0.62275097 1.0 Sc Sc5 1 0.00000000 0.12275097 0.37724903 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni7 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir8 1 0.75785405 0.17605605 0.67605605 1.0 Ir Ir9 1 0.75785405 0.82394395 0.32394395 1.0 Ir Ir10 1 0.75785405 0.32394395 0.17605605 1.0 Ir Ir11 1 0.75785405 0.67605605 0.82394395 1.0 Ir Ir12 1 0.24214595 0.82394395 0.32394395 1.0 Ir Ir13 1 0.24214595 0.17605605 0.67605605 1.0 Ir Ir14 1 0.24214595 0.67605605 0.82394395 1.0 Ir Ir15 1 0.24214595 0.32394395 0.17605605 1.0 Ir Ir16 1 0.50000000 0.70906076 0.56172299 1.0 Ir Ir17 1 0.50000000 0.29093924 0.43827701 1.0 Ir Ir18 1 0.50000000 0.79093924 0.06172299 1.0 Ir Ir19 1 0.50000000 0.20906076 0.93827701 1.0 Ir Ir20 1 0.50000000 0.56172299 0.29093924 1.0 Ir Ir21 1 0.50000000 0.43827701 0.70906076 1.0 Ir Ir22 1 0.50000000 0.06172299 0.20906076 1.0 Ir Ir23 1 0.50000000 0.93827701 0.79093924 1.0