%Structure example2
%Job example2
%Data
Spacegroup I -4 3 d
Cell 11.9890 11.9890 11.9890 90.00 90.00 90.00
Content [(CaO)12(Al2 O3)7]2
Electrons
Reflections mayenite.hkl
Format free
Fobserved
%phase
%end
