ATOMIC_SPECIES
As 1   As_ONCV_PBE-1.0.upf upf201
Ga 1   Ga_ONCV_PBE-1.0.upf upf201

LATTICE_CONSTANT
1  // add lattice constant, 10.58 ang

LATTICE_VECTORS
5.33 5.33  0.0
0.0  5.33 5.33
5.33  0.0  5.33
ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

As
0
1
0.300000          0.3300000          0.27000000     0 0 0

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