# generated using pymatgen data_NdIn2NiIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21648875 _cell_length_b 8.72432435 _cell_length_c 8.72432435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdIn2NiIr8 _chemical_formula_sum 'Nd2 In4 Ni2 Ir16' _cell_volume 397.04696543 _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 In In2 1 0.00000000 0.62270481 0.12270481 1.0 In In3 1 0.00000000 0.37729519 0.87729519 1.0 In In4 1 0.00000000 0.87729519 0.62270481 1.0 In In5 1 0.00000000 0.12270481 0.37729519 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 0.75894520 0.17467751 0.67467751 1.0 Ir Ir9 1 0.75894520 0.82532249 0.32532249 1.0 Ir Ir10 1 0.75894520 0.32532249 0.17467751 1.0 Ir Ir11 1 0.75894520 0.67467751 0.82532249 1.0 Ir Ir12 1 0.24105480 0.82532249 0.32532249 1.0 Ir Ir13 1 0.24105480 0.17467751 0.67467751 1.0 Ir Ir14 1 0.24105480 0.67467751 0.82532249 1.0 Ir Ir15 1 0.24105480 0.32532249 0.17467751 1.0 Ir Ir16 1 0.50000000 0.70670054 0.56520966 1.0 Ir Ir17 1 0.50000000 0.29329946 0.43479034 1.0 Ir Ir18 1 0.50000000 0.79329946 0.06520966 1.0 Ir Ir19 1 0.50000000 0.20670054 0.93479034 1.0 Ir Ir20 1 0.50000000 0.56520966 0.29329946 1.0 Ir Ir21 1 0.50000000 0.43479034 0.70670054 1.0 Ir Ir22 1 0.50000000 0.06520966 0.20670054 1.0 Ir Ir23 1 0.50000000 0.93479034 0.79329946 1.0