%structure mayenite
%job Mayenite - Calcium Oxide - Aluminium Oxide
%data
cell 11.989 11.989 11.989 90.000 90.000 90.000
>space I -4 3 d
>cont O 144   Al 96    Ca 28
cont [(Ca O)12 (Al2 O3)7]2
refl mayenite.hkl
>format(3i4,2f10.2)
fobs
electrons
%continue
