#This is the atom file containing all the information
#about the lattice structure.

ATOMIC_SPECIES
 Mo  95.94    Mo_ONCV_PBE-1.0.upf
 S   32.066    S_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
5.9716

LATTICE_PARAMETERS
12

ATOMIC_POSITIONS
Cartesian 		#Cartesian(Unit is LATTICE_CONSTANT)
Mo 			#Name of element	
0.0			#Magnetic for this element.
1			#Number of atoms
0.000000000   0.577350270   2.462038339 0 0 0
S
0.0
2
0.500000000   0.288675130   1.974192764 0 0 0
0.000000000  -0.577350270   2.950837559 0 0 0
