P   LATTICE,NONEQUIV.ATOMS   5  201 Pn-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.141371 18.141371 18.141371 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.44        Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.38900000 Y=0.38900000 Z=0.38900000
          MULT= 8          ISPLIT= 4
      -2: X=0.61100000 Y=0.61100000 Z=0.61100000
      -2: X=0.11100000 Y=0.11100000 Z=0.38900000
      -2: X=0.88900000 Y=0.88900000 Z=0.61100000
      -2: X=0.38900000 Y=0.11100000 Z=0.11100000
      -2: X=0.61100000 Y=0.88900000 Z=0.88900000
      -2: X=0.11100000 Y=0.38900000 Z=0.11100000
      -2: X=0.88900000 Y=0.61100000 Z=0.88900000
K          NPT=  781  R0=.000050000 RMT= 2.44        Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.09700000 Y=0.75000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -3: X=0.90300000 Y=0.25000000 Z=0.75000000
      -3: X=0.40300000 Y=0.75000000 Z=0.25000000
      -3: X=0.59700000 Y=0.25000000 Z=0.75000000
      -3: X=0.25000000 Y=0.09700000 Z=0.75000000
      -3: X=0.75000000 Y=0.90300000 Z=0.25000000
      -3: X=0.25000000 Y=0.40300000 Z=0.75000000
      -3: X=0.75000000 Y=0.59700000 Z=0.25000000
      -3: X=0.75000000 Y=0.25000000 Z=0.09700000
      -3: X=0.25000000 Y=0.75000000 Z=0.90300000
      -3: X=0.75000000 Y=0.25000000 Z=0.40300000
      -3: X=0.25000000 Y=0.75000000 Z=0.59700000
Sb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.61100000 Y=0.25000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -4: X=0.38900000 Y=0.75000000 Z=0.75000000
      -4: X=0.88900000 Y=0.25000000 Z=0.25000000
      -4: X=0.11100000 Y=0.75000000 Z=0.75000000
      -4: X=0.25000000 Y=0.61100000 Z=0.25000000
      -4: X=0.75000000 Y=0.38900000 Z=0.75000000
      -4: X=0.25000000 Y=0.88900000 Z=0.25000000
      -4: X=0.75000000 Y=0.11100000 Z=0.75000000
      -4: X=0.25000000 Y=0.25000000 Z=0.61100000
      -4: X=0.75000000 Y=0.75000000 Z=0.38900000
      -4: X=0.25000000 Y=0.25000000 Z=0.88900000
      -4: X=0.75000000 Y=0.75000000 Z=0.11100000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.03900000 Y=0.09700000 Z=0.75000000
          MULT=24          ISPLIT= 8
      -5: X=0.96100000 Y=0.90300000 Z=0.25000000
      -5: X=0.46100000 Y=0.40300000 Z=0.75000000
      -5: X=0.53900000 Y=0.59700000 Z=0.25000000
      -5: X=0.03900000 Y=0.40300000 Z=0.75000000
      -5: X=0.96100000 Y=0.59700000 Z=0.25000000
      -5: X=0.75000000 Y=0.03900000 Z=0.09700000
      -5: X=0.25000000 Y=0.96100000 Z=0.90300000
      -5: X=0.46100000 Y=0.09700000 Z=0.75000000
      -5: X=0.53900000 Y=0.90300000 Z=0.25000000
      -5: X=0.75000000 Y=0.46100000 Z=0.09700000
      -5: X=0.25000000 Y=0.53900000 Z=0.90300000
      -5: X=0.75000000 Y=0.46100000 Z=0.40300000
      -5: X=0.25000000 Y=0.53900000 Z=0.59700000
      -5: X=0.75000000 Y=0.03900000 Z=0.40300000
      -5: X=0.25000000 Y=0.96100000 Z=0.59700000
      -5: X=0.09700000 Y=0.75000000 Z=0.03900000
      -5: X=0.90300000 Y=0.25000000 Z=0.96100000
      -5: X=0.40300000 Y=0.75000000 Z=0.03900000
      -5: X=0.59700000 Y=0.25000000 Z=0.96100000
      -5: X=0.09700000 Y=0.75000000 Z=0.46100000
      -5: X=0.90300000 Y=0.25000000 Z=0.53900000
      -5: X=0.40300000 Y=0.75000000 Z=0.46100000
      -5: X=0.59700000 Y=0.25000000 Z=0.53900000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000