# MgB2 lattice structure.
natom 3
acell 2*3.086 3.523 Angstrom
rprim 0.866025403784439 0.5 0.0
-0.866025403784439 0.5 0.0
0.0 0.0 1.0
# Atomic positions
xred_symbols
0.0 0.0 0.0 Mg
1/3 2/3 0.5 B
2/3 1/3 0.5 B