P   LATTICE,NONEQUIV.ATOMS  13   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 33.391461 17.782323  7.766774 90.000000 90.000000100.000000                   
ATOM  -1: X=0.12100000 Y=0.06700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.87900000 Y=0.93300000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18900000 Y=0.81800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.81100000 Y=0.18200000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.60400000 Y=0.02200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.39600000 Y=0.97800000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.46800000 Y=0.32800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.53200000 Y=0.67200000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27500000 Y=0.47100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.72500000 Y=0.52900000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.95400000 Y=0.64400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.04600000 Y=0.35600000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.99500000 Y=0.16500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00500000 Y=0.83500000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.34600000 Y=0.11700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.65400000 Y=0.88300000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.72800000 Y=0.24100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.27200000 Y=0.75900000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.09100000 Y=0.55700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.90900000 Y=0.44300000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.82600000 Y=0.75500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.17400000 Y=0.24500000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.59000000 Y=0.53500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.41000000 Y=0.46500000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.46800000 Y=0.83100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -13: X=0.53200000 Y=0.16900000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000