P   LATTICE,NONEQUIV.ATOMS   9   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.859484 19.638034 13.959218 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48556000 Y=0.11983000 Z=0.36763000
          MULT= 4          ISPLIT= 8
      -1: X=0.51444000 Y=0.88017000 Z=0.86763000
      -1: X=0.01444000 Y=0.61983000 Z=0.86763000
      -1: X=0.98556000 Y=0.38017000 Z=0.36763000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50543000 Y=0.52870000 Z=0.09660000
          MULT= 4          ISPLIT= 8
      -2: X=0.49457000 Y=0.47130000 Z=0.59660000
      -2: X=0.99457000 Y=0.02870000 Z=0.59660000
      -2: X=0.00543000 Y=0.97130000 Z=0.09660000
Mo         NPT=  781  R0=.000010000 RMT= 1.69        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27498000 Y=0.73855000 Z=0.42833000
          MULT= 4          ISPLIT= 8
      -3: X=0.72502000 Y=0.26145000 Z=0.92833000
      -3: X=0.22502000 Y=0.23855000 Z=0.92833000
      -3: X=0.77498000 Y=0.76145000 Z=0.42833000
I          NPT=  781  R0=.000010000 RMT= 1.82        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13670000 Y=0.14580000 Z=0.53680000
          MULT= 4          ISPLIT= 8
      -4: X=0.86330000 Y=0.85420000 Z=0.03680000
      -4: X=0.36330000 Y=0.64580000 Z=0.03680000
      -4: X=0.63670000 Y=0.35420000 Z=0.53680000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.30980000 Y=0.38670000 Z=0.62880000
          MULT= 4          ISPLIT= 8
      -5: X=0.69020000 Y=0.61330000 Z=0.12880000
      -5: X=0.19020000 Y=0.88670000 Z=0.12880000
      -5: X=0.80980000 Y=0.11330000 Z=0.62880000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.43930000 Y=0.51350000 Z=0.33690000
          MULT= 4          ISPLIT= 8
      -6: X=0.56070000 Y=0.48650000 Z=0.83690000
      -6: X=0.06070000 Y=0.01350000 Z=0.83690000
      -6: X=0.93930000 Y=0.98650000 Z=0.33690000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.07320000 Y=0.65750000 Z=0.41600000
          MULT= 4          ISPLIT= 8
      -7: X=0.92680000 Y=0.34250000 Z=0.91600000
      -7: X=0.42680000 Y=0.15750000 Z=0.91600000
      -7: X=0.57320000 Y=0.84250000 Z=0.41600000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.14020000 Y=0.15620000 Z=0.12860000
          MULT= 4          ISPLIT= 8
      -8: X=0.85980000 Y=0.84380000 Z=0.62860000
      -8: X=0.35980000 Y=0.65620000 Z=0.62860000
      -8: X=0.64020000 Y=0.34380000 Z=0.12860000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.28310000 Y=0.38520000 Z=0.04460000
          MULT= 4          ISPLIT= 8
      -9: X=0.71690000 Y=0.61480000 Z=0.54460000
      -9: X=0.21690000 Y=0.88520000 Z=0.54460000
      -9: X=0.78310000 Y=0.11480000 Z=0.04460000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000