Same as ADDSYM + transformation & Plot of averaged structure in revised space group.
The structure in the orthorhombic description looks as shown in Fig1.
Either by clicking on 'ADDSYM-PLT' or with the keyboard instruction CALC ADDSYM PLOT it will be shown by PLATON/ADDSYM that a better description of the structure in the cubic space group Pa-3 is possible (Fig2) with only 1/3 of the molecule in the asymmetric unit.
The non-conforming hydrogen atoms on the methyl moiety are either disordered or misplaced in the original model.
ADDSYM will detect an I-centering first. This lattice centering type is implemented, along with the detected inversion center, and ADDSYM restarted automatically using this information. The analysis shows that the coordinate set can be simplified by in description of the structure in space group C2/m.
A CALC ADDSYM PLOT will thus result in a description of the structure in spacegroup C2/m as shown in Fig.3.