P   LATTICE,NONEQUIV.ATOMS  13   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.259761 55.042053 20.414522 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.54420000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.45580000
Y          NPT=  781  R0=.000010000 RMT= 2.11        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=0.25000000 Y=0.57930000 Z=0.67840000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.42070000 Z=0.32160000
      -2: X=0.75000000 Y=0.07930000 Z=0.32160000
      -2: X=0.25000000 Y=0.92070000 Z=0.67840000
Y          NPT=  781  R0=.000010000 RMT= 2.11        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.13670000 Z=0.53610000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.86330000 Z=0.46390000
      -3: X=0.75000000 Y=0.63670000 Z=0.46390000
      -3: X=0.25000000 Y=0.36330000 Z=0.53610000
Y          NPT=  781  R0=.000010000 RMT= 2.11        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.18500000 Z=0.25670000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.81500000 Z=0.74330000
      -4: X=0.75000000 Y=0.68500000 Z=0.74330000
      -4: X=0.25000000 Y=0.31500000 Z=0.25670000
Y          NPT=  781  R0=.000010000 RMT= 2.11        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.52950000 Z=0.39310000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.47050000 Z=0.60690000
      -5: X=0.75000000 Y=0.02950000 Z=0.60690000
      -5: X=0.25000000 Y=0.97050000 Z=0.39310000
Y          NPT=  781  R0=.000010000 RMT= 2.11        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.75000000 Z=0.92220000
          MULT= 2          ISPLIT= 8
      -6: X=0.75000000 Y=0.25000000 Z=0.07780000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -7: X=0.25000000 Y=0.25000000 Z=0.67750000
          MULT= 2          ISPLIT= 8
      -7: X=0.75000000 Y=0.75000000 Z=0.32250000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -8: X=0.25000000 Y=0.01072000 Z=0.82700000
          MULT= 4          ISPLIT= 8
      -8: X=0.75000000 Y=0.98928000 Z=0.17300000
      -8: X=0.75000000 Y=0.51072000 Z=0.17300000
      -8: X=0.25000000 Y=0.48928000 Z=0.82700000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.25000000 Y=0.62666000 Z=0.24530000
          MULT= 4          ISPLIT= 8
      -9: X=0.75000000 Y=0.37334000 Z=0.75470000
      -9: X=0.75000000 Y=0.12666000 Z=0.75470000
      -9: X=0.25000000 Y=0.87334000 Z=0.24530000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.25000000 Y=0.10386000 Z=0.09030000
          MULT= 4          ISPLIT= 8
     -10: X=0.75000000 Y=0.89614000 Z=0.90970000
     -10: X=0.75000000 Y=0.60386000 Z=0.90970000
     -10: X=0.25000000 Y=0.39614000 Z=0.09030000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -11: X=0.25000000 Y=0.05540000 Z=0.46300000
          MULT= 4          ISPLIT= 8
     -11: X=0.75000000 Y=0.94460000 Z=0.53700000
     -11: X=0.75000000 Y=0.55540000 Z=0.53700000
     -11: X=0.25000000 Y=0.44460000 Z=0.46300000
C          NPT=  781  R0=.000100000 RMT= 2.07        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -12: X=0.25000000 Y=0.66420000 Z=0.61400000
          MULT= 4          ISPLIT= 8
     -12: X=0.75000000 Y=0.33580000 Z=0.38600000
     -12: X=0.75000000 Y=0.16420000 Z=0.38600000
     -12: X=0.25000000 Y=0.83580000 Z=0.61400000
C          NPT=  781  R0=.000100000 RMT= 2.07        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -13: X=0.25000000 Y=0.25000000 Z=0.34800000
          MULT= 2          ISPLIT= 8
     -13: X=0.75000000 Y=0.75000000 Z=0.65200000
O          NPT=  781  R0=.000100000 RMT= 1.90        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000