F   LATTICE,NONEQUIV.ATOMS   9  216 F-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 33.776965 33.776965 33.776965 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10354000 Y=0.10354000 Z=0.10354000
          MULT= 4          ISPLIT= 4
      -1: X=0.10354000 Y=0.89646000 Z=0.89646000
      -1: X=0.89646000 Y=0.89646000 Z=0.10354000
      -1: X=0.89646000 Y=0.10354000 Z=0.89646000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        Z:  56.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.89729000 Y=0.89729000 Z=0.89729000
          MULT= 4          ISPLIT= 4
      -2: X=0.89729000 Y=0.10271000 Z=0.10271000
      -2: X=0.10271000 Y=0.10271000 Z=0.89729000
      -2: X=0.10271000 Y=0.89729000 Z=0.10271000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        Z:  56.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.28544000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.00000000 Y=0.71456000 Z=0.00000000
      -3: X=0.00000000 Y=0.28544000 Z=0.00000000
      -3: X=0.71456000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.71456000
      -3: X=0.00000000 Y=0.00000000 Z=0.28544000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM   4: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.67010000 Y=0.67010000 Z=0.67010000
          MULT= 4          ISPLIT= 4
      -5: X=0.67010000 Y=0.32990000 Z=0.32990000
      -5: X=0.32990000 Y=0.32990000 Z=0.67010000
      -5: X=0.32990000 Y=0.67010000 Z=0.32990000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -6: X=0.01010000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.25000000 Y=0.98990000 Z=0.75000000
      -6: X=0.25000000 Y=0.01010000 Z=0.25000000
      -6: X=0.98990000 Y=0.75000000 Z=0.25000000
      -6: X=0.75000000 Y=0.25000000 Z=0.98990000
      -6: X=0.25000000 Y=0.25000000 Z=0.01010000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -7: X=0.14430000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -7: X=0.00000000 Y=0.85570000 Z=0.00000000
      -7: X=0.00000000 Y=0.14430000 Z=0.00000000
      -7: X=0.85570000 Y=0.00000000 Z=0.00000000
      -7: X=0.00000000 Y=0.00000000 Z=0.85570000
      -7: X=0.00000000 Y=0.00000000 Z=0.14430000
N          NPT=  781  R0=.000100000 RMT= 2.31        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM   8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Li         NPT=  781  R0=.000100000 RMT= 2.24        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.36100000 Y=0.36100000 Z=0.36100000
          MULT= 4          ISPLIT= 4
      -9: X=0.36100000 Y=0.63900000 Z=0.63900000
      -9: X=0.63900000 Y=0.63900000 Z=0.36100000
      -9: X=0.63900000 Y=0.36100000 Z=0.63900000
Li         NPT=  781  R0=.000100000 RMT= 2.24        Z:   3.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503