FIELD for: ab.cif. Supercell: 2 x 2 x 2                                                             
units eV                                      

molecule 1
Molecule_1
nummols 1
atoms 30
Al       26.981538 0.000000 25 0
Fe       55.845000 0.000000 5 0
finish
metal 3
Al Al eeam
Al Fe eeam
Fe Fe eeam
close
