SourceData_Fig.1a.dat and SourceData_Fig.2a.dat are the original data files of the images, which can be opened by the Basex software. These three-dimensional photoelectron distributions should be reconstructed from the projected two-dimensional image via the method of maximum-entropy reconstruction of velocity maps;

SourceData_Fig.1b.xlsx and SourceData_Fig.2b..xlsx are the date files of the Fig1b and Fig2b,respectively.


SourceData_Fig.1c_2c.pptx contains the schematic diagrams of energy level structure drawn in Microsoft Powerpoint as shown in the Fig1c and Fig2c of the manuscript.

SourceData_Fig.3 contains the atomic orbital energies of Th, C and N atoms as well as the molecular orbital energies of ThC and ThN. These energies are used to draw the energy-level diagram displayed in Fig. 3.

The data files used in drawing the figures in Fig. 4 and Supplementary Figure 1 were binary files generated by ADF  package. The data files are available from the corresponding author upon reasonable request.   