ATOMIC_SPECIES
Fe 1.000 Fe_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Fe_gga_9au_100Ry_4s2p2d1f.orb

LATTICE_CONSTANT
6

LATTICE_VECTORS
1.00 0.00 0.00
0.00 1.00 0.00
0.00 0.00 1.00
ATOMIC_POSITIONS
Direct

Fe
1.0
2
0.00 0.00 0.00 1 1 1 angle1 90 angle2 0 
0.51 0.52 0.53 1 1 1 angle1 90 angle2 0

