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

ATOMIC_SPECIES
Bi 208.980 ../../PP_ORB/Bi_ONCV_PBE-1.0.upf
Se 78.971 ../../PP_ORB/Se_ONCV_PBE-1.0.upf
Cu 63.546 ../../PP_ORB/Cu_ONCV_PBE-1.0.upf
O 15.999 ../../PP_ORB/O_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1.890  			#Lattice constant

LATTICE_VECTORS
3.926041   0.000000   0.00000000
0.000000   3.926041   0.00000000
0.000000   0.000000   8.95668733

ATOMIC_POSITIONS
Direct 		#Cartesian(Unit is LATTICE_CONSTANT)
Bi 			#Name of element	
0.0			#Magnetic for this element.
2			#Number of atoms
  0.25  0.25  0.1415832927948770 0 0 0
  0.75  0.75  0.8584167206051205 0 0 0
Se 			#Name of element	
0.0			#Magnetic for this element.
2			#Number of atoms
  0.25  0.25  0.6754258009421648 0 0 0
  0.75  0.75  0.3245741455578326 0 0 0
Cu 			#Name of element	
0.0			#Magnetic for this element.
2			#Number of atoms
  0.25  0.75  0.5000000000000000 0 0 0
  0.75  0.25  0.5000000000000000 0 0 0
O 			#Name of element	
0.0			#Magnetic for this element.
2			#Number of atoms
  0.25  0.75  0.0000000000000000 0 0 0
  0.75  0.25  0.0000000000000000 0 0 0
