AtomNames=['Cu',   'O',  'La' ]
cellvectors=Numeric.array( 
         [ 
            [3.7817  , 0.0     ,  0.0],
            [0.0   , 3.7817    ,  0.0], 
            [0.0   , 0.0     ,  13.2487] 
         ] )
PositionsList=[
          Numeric.array(
              [
              [ 0.0,       0.0,       0.0  ], #0
              [ 0.5,       0.5,       0.5  ]  #1
             ]
          ),
          Numeric.array(
              [ 
		[0.5,       0.0,       0.0 ],   #0
                [0.0,       0.5,       0.0 ],   #1
                [0.0,       0.0,       0.1392 ],#2
                [0.0,       0.0,       0.8608 ],#3
                [0.5,       0.0,       0.5 ],   #4
                [0.0,       0.5,       0.5 ],   #5
                [0.5,       0.5,       0.3608 ],#6
                [0.5,       0.5,       0.6392 ] #7
              ]
           ),
          Numeric.array(
              [ 
		[0.0,       0.0,       0.3608], #0
                [0.0,       0.0,       0.6392], #1
		[0.5,       0.5,       0.1392], #2
                [0.5,       0.5,       0.8608]  #3
              ]
          )
]
SeekedTetragon=[('Cu',0),('O',0),('La',0),('O',1)]
dr_shell=0.05
num_nei=3





