P   LATTICE,NONEQUIV.ATOMS  11   11 P21/m   
MODE OF CALC=RELA unit=bohr
 16.366918 15.762206 19.904485 90.000000 90.000000 91.900000
ATOM  -1: X=0.61019000 Y=0.36375000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.38981000 Y=0.63625000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37477000 Y=0.13937000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.62523000 Y=0.86063000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20510000 Y=0.61470000 Z=0.59420000
          MULT= 4          ISPLIT=15
      -3: X=0.79490000 Y=0.38530000 Z=0.40580000
      -3: X=0.79490000 Y=0.38530000 Z=0.09420000
      -3: X=0.20510000 Y=0.61470000 Z=0.90580000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.57460000 Y=0.63480000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.42540000 Y=0.36520000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.41560000 Y=0.33630000 Z=0.08640000
          MULT= 4          ISPLIT=15
      -5: X=0.58440000 Y=0.66370000 Z=0.91360000
      -5: X=0.58440000 Y=0.66370000 Z=0.58640000
      -5: X=0.41560000 Y=0.33630000 Z=0.41360000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11240000 Y=0.19590000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -6: X=0.88760000 Y=0.80410000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.66860000 Y=0.04880000 Z=0.59340000
          MULT= 4          ISPLIT=15
      -7: X=0.33140000 Y=0.95120000 Z=0.40660000
      -7: X=0.33140000 Y=0.95120000 Z=0.09340000
      -7: X=0.66860000 Y=0.04880000 Z=0.90660000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.64140000 Y=0.07410000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -8: X=0.35860000 Y=0.92590000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.08370000 Y=0.17350000 Z=0.60240000
          MULT= 4          ISPLIT=15
      -9: X=0.91630000 Y=0.82650000 Z=0.39760000
      -9: X=0.91630000 Y=0.82650000 Z=0.10240000
      -9: X=0.08370000 Y=0.17350000 Z=0.89760000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.12290000 Y=0.59400000 Z=0.25000000
          MULT= 2          ISPLIT=15
     -10: X=0.87710000 Y=0.40600000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.05900000 Y=0.81730000 Z=0.25000000
          MULT= 2          ISPLIT=15
     -11: X=0.94100000 Y=0.18270000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000