# generated using pymatgen data_Nd4HfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.13114754 _cell_length_b 11.13114754 _cell_length_c 6.34547376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4HfIr3 _chemical_formula_sum 'Nd16 Hf4 Ir12' _cell_volume 786.21971684 _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 0.08510566 0.28681578 0.12201309 1.0 Nd Nd1 1 0.78681578 0.41489434 0.12201309 1.0 Nd Nd2 1 0.21318422 0.58510566 0.12201309 1.0 Nd Nd3 1 0.91489434 0.71318422 0.12201309 1.0 Nd Nd4 1 0.41489434 0.78681578 0.37798691 1.0 Nd Nd5 1 0.58510566 0.21318422 0.37798691 1.0 Nd Nd6 1 0.28681578 0.08510566 0.37798691 1.0 Nd Nd7 1 0.71318422 0.91489434 0.37798691 1.0 Nd Nd8 1 0.41489434 0.21318422 0.87798691 1.0 Nd Nd9 1 0.71318422 0.08510566 0.87798691 1.0 Nd Nd10 1 0.28681578 0.91489434 0.87798691 1.0 Nd Nd11 1 0.58510566 0.78681578 0.87798691 1.0 Nd Nd12 1 0.08510566 0.71318422 0.62201309 1.0 Nd Nd13 1 0.91489434 0.28681578 0.62201309 1.0 Nd Nd14 1 0.21318422 0.41489434 0.62201309 1.0 Nd Nd15 1 0.78681578 0.58510566 0.62201309 1.0 Hf Hf16 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf17 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf18 1 0.50000000 0.50000000 0.50000000 1.0 Hf Hf19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.13662141 0.86337859 0.25000000 1.0 Ir Ir21 1 0.36337859 0.36337859 0.25000000 1.0 Ir Ir22 1 0.63662141 0.63662141 0.25000000 1.0 Ir Ir23 1 0.86337859 0.13662141 0.25000000 1.0 Ir Ir24 1 0.36337859 0.63662141 0.75000000 1.0 Ir Ir25 1 0.13662141 0.13662141 0.75000000 1.0 Ir Ir26 1 0.86337859 0.86337859 0.75000000 1.0 Ir Ir27 1 0.63662141 0.36337859 0.75000000 1.0 Ir Ir28 1 0.00000000 0.50000000 0.38324823 1.0 Ir Ir29 1 0.50000000 0.00000000 0.11675177 1.0 Ir Ir30 1 0.50000000 0.00000000 0.61675177 1.0 Ir Ir31 1 0.00000000 0.50000000 0.88324823 1.0