P   LATTICE,NONEQUIV.ATOMS   6  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.498340 18.498340 18.498340 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.85263000 Y=0.85263000 Z=0.85263000
          MULT= 4          ISPLIT= 4
      -1: X=0.64737000 Y=0.14737000 Z=0.35263000
      -1: X=0.35263000 Y=0.64737000 Z=0.14737000
      -1: X=0.14737000 Y=0.35263000 Z=0.64737000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.58689000 Y=0.58689000 Z=0.58689000
          MULT= 4          ISPLIT= 4
      -2: X=0.91311000 Y=0.41311000 Z=0.08689000
      -2: X=0.08689000 Y=0.91311000 Z=0.41311000
      -2: X=0.41311000 Y=0.08689000 Z=0.91311000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.40364000 Y=0.40364000 Z=0.40364000
          MULT= 4          ISPLIT= 4
      -3: X=0.09636000 Y=0.59636000 Z=0.90364000
      -3: X=0.90364000 Y=0.09636000 Z=0.59636000
      -3: X=0.59636000 Y=0.90364000 Z=0.09636000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.03550000 Y=0.03550000 Z=0.03550000
          MULT= 4          ISPLIT= 4
      -4: X=0.46450000 Y=0.96450000 Z=0.53550000
      -4: X=0.53550000 Y=0.46450000 Z=0.96450000
      -4: X=0.96450000 Y=0.53550000 Z=0.46450000
P          NPT=  781  R0=.000100000 RMT= 2.03        Z:  15.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.05810000 Y=0.61910000 Z=0.28130000
          MULT=12          ISPLIT= 8
      -5: X=0.44190000 Y=0.38090000 Z=0.78130000
      -5: X=0.55810000 Y=0.88090000 Z=0.71870000
      -5: X=0.28130000 Y=0.05810000 Z=0.61910000
      -5: X=0.94190000 Y=0.11910000 Z=0.21870000
      -5: X=0.21870000 Y=0.94190000 Z=0.11910000
      -5: X=0.78130000 Y=0.44190000 Z=0.38090000
      -5: X=0.71870000 Y=0.55810000 Z=0.88090000
      -5: X=0.61910000 Y=0.28130000 Z=0.05810000
      -5: X=0.88090000 Y=0.71870000 Z=0.55810000
      -5: X=0.11910000 Y=0.21870000 Z=0.94190000
      -5: X=0.38090000 Y=0.78130000 Z=0.44190000
P          NPT=  781  R0=.000100000 RMT= 2.03        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11280000 Y=0.23230000 Z=0.30050000
          MULT=12          ISPLIT= 8
      -6: X=0.38720000 Y=0.76770000 Z=0.80050000
      -6: X=0.61280000 Y=0.26770000 Z=0.69950000
      -6: X=0.30050000 Y=0.11280000 Z=0.23230000
      -6: X=0.88720000 Y=0.73230000 Z=0.19950000
      -6: X=0.19950000 Y=0.88720000 Z=0.73230000
      -6: X=0.80050000 Y=0.38720000 Z=0.76770000
      -6: X=0.69950000 Y=0.61280000 Z=0.26770000
      -6: X=0.23230000 Y=0.30050000 Z=0.11280000
      -6: X=0.26770000 Y=0.69950000 Z=0.61280000
      -6: X=0.73230000 Y=0.19950000 Z=0.88720000
      -6: X=0.76770000 Y=0.80050000 Z=0.38720000
P          NPT=  781  R0=.000100000 RMT= 2.03        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000