F   LATTICE,NONEQUIV.ATOMS   9  216 F-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 33.635235 33.635235 33.635235 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10315000 Y=0.10315000 Z=0.10315000
          MULT= 4          ISPLIT= 4
      -1: X=0.10315000 Y=0.89685000 Z=0.89685000
      -1: X=0.89685000 Y=0.89685000 Z=0.10315000
      -1: X=0.89685000 Y=0.10315000 Z=0.89685000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        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=0.89715000 Y=0.89715000 Z=0.89715000
          MULT= 4          ISPLIT= 4
      -2: X=0.89715000 Y=0.10285000 Z=0.10285000
      -2: X=0.10285000 Y=0.10285000 Z=0.89715000
      -2: X=0.10285000 Y=0.89715000 Z=0.10285000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        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=0.28650000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.00000000 Y=0.71350000 Z=0.00000000
      -3: X=0.00000000 Y=0.28650000 Z=0.00000000
      -3: X=0.71350000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.71350000
      -3: X=0.00000000 Y=0.00000000 Z=0.28650000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        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=0.66910000 Y=0.66910000 Z=0.66910000
          MULT= 4          ISPLIT= 4
      -4: X=0.66910000 Y=0.33090000 Z=0.33090000
      -4: X=0.33090000 Y=0.33090000 Z=0.66910000
      -4: X=0.33090000 Y=0.66910000 Z=0.33090000
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  -5: X=0.00800000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.25000000 Y=0.99200000 Z=0.75000000
      -5: X=0.25000000 Y=0.00800000 Z=0.25000000
      -5: X=0.99200000 Y=0.75000000 Z=0.25000000
      -5: X=0.75000000 Y=0.25000000 Z=0.99200000
      -5: X=0.25000000 Y=0.25000000 Z=0.00800000
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  -6: X=0.14680000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.00000000 Y=0.85320000 Z=0.00000000
      -6: X=0.00000000 Y=0.14680000 Z=0.00000000
      -6: X=0.85320000 Y=0.00000000 Z=0.00000000
      -6: X=0.00000000 Y=0.00000000 Z=0.85320000
      -6: X=0.00000000 Y=0.00000000 Z=0.14680000
N          NPT=  781  R0=.000100000 RMT= 2.28        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   7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Li         NPT=  781  R0=.000100000 RMT= 2.27        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   8: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Li         NPT=  781  R0=.000100000 RMT= 2.27        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=0.32510000 Y=0.32510000 Z=0.32510000
          MULT= 4          ISPLIT= 4
      -9: X=0.32510000 Y=0.67490000 Z=0.67490000
      -9: X=0.67490000 Y=0.67490000 Z=0.32510000
      -9: X=0.67490000 Y=0.32510000 Z=0.67490000
Li         NPT=  781  R0=.000100000 RMT= 2.27        Z:   3.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503