ATOMIC_SPECIES
As 1   As_ONCV_PBE-1.1.upf
Ga 1   Ga_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1  // add lattice constant, 10.58 ang

NUMERICAL_ORBITAL

LATTICE_VECTORS
5.34197 5.34197  0.0
0.0  5.34197 5.34197
5.34197  0.0  5.34197
ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

As
0
1
0.2500000          0.2500000          0.25000000     0 0 0

Ga              //Element Label
0
1              //number of atom
0.00000          0.00000          0.000000     0 0 0
