# generated using pymatgen data_Hf4NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56240646 _cell_length_b 8.56240691 _cell_length_c 8.56240763 _cell_angle_alpha 60.00000103 _cell_angle_beta 59.99999927 _cell_angle_gamma 60.00000566 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4NiIr _chemical_formula_sum 'Hf16 Ni4 Ir4' _cell_volume 443.88720265 _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 Hf Hf0 1 0.67419970 0.10860010 0.10860010 1.0 Hf Hf1 1 0.10860010 0.67419970 0.10860010 1.0 Hf Hf2 1 0.10860010 0.10860010 0.67419970 1.0 Hf Hf3 1 0.10860010 0.10860010 0.10860010 1.0 Hf Hf4 1 0.31365303 0.31365303 0.68634697 1.0 Hf Hf5 1 0.68634697 0.68634697 0.31365303 1.0 Hf Hf6 1 0.31365303 0.68634697 0.31365303 1.0 Hf Hf7 1 0.68634697 0.31365303 0.68634697 1.0 Hf Hf8 1 0.68634697 0.31365303 0.31365303 1.0 Hf Hf9 1 0.31365303 0.68634697 0.68634697 1.0 Hf Hf10 1 0.94595519 0.94595519 0.55404481 1.0 Hf Hf11 1 0.55404481 0.55404481 0.94595519 1.0 Hf Hf12 1 0.94595519 0.55404481 0.94595519 1.0 Hf Hf13 1 0.55404481 0.94595519 0.55404481 1.0 Hf Hf14 1 0.55404481 0.94595519 0.94595519 1.0 Hf Hf15 1 0.94595519 0.55404481 0.55404481 1.0 Ni Ni16 1 0.31485297 0.89504868 0.89504868 1.0 Ni Ni17 1 0.89504868 0.31485297 0.89504868 1.0 Ni Ni18 1 0.89504868 0.89504868 0.31485297 1.0 Ni Ni19 1 0.89504868 0.89504868 0.89504868 1.0 Ir Ir20 1 0.99811739 0.33396020 0.33396020 1.0 Ir Ir21 1 0.33396020 0.99811739 0.33396020 1.0 Ir Ir22 1 0.33396020 0.33396020 0.99811739 1.0 Ir Ir23 1 0.33396020 0.33396020 0.33396020 1.0