CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.288650 29.317211 12.079129 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.32277000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.67723000 Z=0.75000000
      -1: X=0.25000000 Y=0.82277000 Z=0.25000000
      -1: X=0.75000000 Y=0.17723000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.17415000 Z=0.22399000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.82585000 Z=0.77601000
      -2: X=0.00000000 Y=0.67415000 Z=0.27601000
      -2: X=0.00000000 Y=0.32585000 Z=0.72399000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.10024000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.89976000 Z=0.75000000
      -3: X=0.25000000 Y=0.60024000 Z=0.25000000
      -3: X=0.75000000 Y=0.39976000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.47        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.40208000 Z=0.22754000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.59792000 Z=0.77246000
      -4: X=0.00000000 Y=0.90208000 Z=0.27246000
      -4: X=0.00000000 Y=0.09792000 Z=0.72754000
As         NPT=  781  R0=.000050000 RMT= 2.47        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.36808000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.63192000 Y=0.00000000 Z=0.00000000
      -5: X=0.36808000 Y=0.50000000 Z=0.50000000
      -5: X=0.63192000 Y=0.50000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.12150000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.87850000 Y=0.00000000 Z=0.00000000
      -6: X=0.12150000 Y=0.50000000 Z=0.50000000
      -6: X=0.87850000 Y=0.50000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.22        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000