P   LATTICE,NONEQUIV.ATOMS   8   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.392035 12.485421 13.725081 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49700000 Y=0.43420000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50300000 Y=0.56580000 Z=0.50000000
      -1: X=0.00300000 Y=0.93420000 Z=0.50000000
      -1: X=0.99700000 Y=0.06580000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.10        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16870000 Y=0.46870000 Z=0.74650000
          MULT= 4          ISPLIT= 8
      -2: X=0.83130000 Y=0.53130000 Z=0.24650000
      -2: X=0.33130000 Y=0.96870000 Z=0.24650000
      -2: X=0.66870000 Y=0.03130000 Z=0.74650000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.17220000 Y=0.45610000 Z=0.25590000
          MULT= 4          ISPLIT= 8
      -3: X=0.82780000 Y=0.54390000 Z=0.75590000
      -3: X=0.32780000 Y=0.95610000 Z=0.75590000
      -3: X=0.67220000 Y=0.04390000 Z=0.25590000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01200000 Y=0.60400000 Z=0.49300000
          MULT= 4          ISPLIT= 8
      -4: X=0.98800000 Y=0.39600000 Z=0.99300000
      -4: X=0.48800000 Y=0.10400000 Z=0.99300000
      -4: X=0.51200000 Y=0.89600000 Z=0.49300000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19300000 Y=0.16000000 Z=0.01600000
          MULT= 4          ISPLIT= 8
      -5: X=0.80700000 Y=0.84000000 Z=0.51600000
      -5: X=0.30700000 Y=0.66000000 Z=0.51600000
      -5: X=0.69300000 Y=0.34000000 Z=0.01600000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.16900000 Y=0.12300000 Z=0.51400000
          MULT= 4          ISPLIT= 8
      -6: X=0.83100000 Y=0.87700000 Z=0.01400000
      -6: X=0.33100000 Y=0.62300000 Z=0.01400000
      -6: X=0.66900000 Y=0.37700000 Z=0.51400000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.06200000 Y=0.84300000 Z=0.20900000
          MULT= 4          ISPLIT= 8
      -7: X=0.93800000 Y=0.15700000 Z=0.70900000
      -7: X=0.43800000 Y=0.34300000 Z=0.70900000
      -7: X=0.56200000 Y=0.65700000 Z=0.20900000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.41800000 Y=0.35900000 Z=0.28200000
          MULT= 4          ISPLIT= 8
      -8: X=0.58200000 Y=0.64100000 Z=0.78200000
      -8: X=0.08200000 Y=0.85900000 Z=0.78200000
      -8: X=0.91800000 Y=0.14100000 Z=0.28200000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000