ATOMIC_SPECIES
Si 1.000 Si.pz-vbc.UPF 

NUMERICAL_ORBITAL
Si_50Ry_8.0au_dzp

LATTICE_CONSTANT
10.21  // add lattice constant

LATTICE_VECTORS
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5

ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

Si      // Element type
0.0     // magnetism
2       // number of atoms
0.01 0.00 0.00 1 1 1
0.25 0.25 0.25 1 1 1

0.962986239489      0.998114790848      0.998114790848 1 1 1
0.297013760511      0.251885209152      0.251885209152 1 1 1

