P   LATTICE,NONEQUIV.ATOMS   7   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.766131 10.489303 10.740070 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.73300000 Z=0.45940000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.26700000 Z=0.95940000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.24200000 Z=0.05100000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.75800000 Z=0.55100000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25440000 Y=0.23490000 Z=0.50820000
          MULT= 4          ISPLIT= 8
      -3: X=0.74560000 Y=0.76510000 Z=0.00820000
      -3: X=0.74560000 Y=0.23490000 Z=0.50820000
      -3: X=0.25440000 Y=0.76510000 Z=0.00820000
Ta         NPT=  781  R0=.000005000 RMT= 2.02        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.16830000 Z=0.52160000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.83170000 Z=0.02160000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.50000000 Y=0.35180000 Z=0.46940000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.64820000 Z=0.96940000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.20070000 Y=0.45940000 Z=0.20500000
          MULT= 4          ISPLIT= 8
      -6: X=0.79930000 Y=0.54060000 Z=0.70500000
      -6: X=0.79930000 Y=0.45940000 Z=0.20500000
      -6: X=0.20070000 Y=0.54060000 Z=0.70500000
O          NPT=  781  R0=.000100000 RMT= 1.76        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=0.29770000 Y=0.03760000 Z=0.78600000
          MULT= 4          ISPLIT= 8
      -7: X=0.70230000 Y=0.96240000 Z=0.28600000
      -7: X=0.70230000 Y=0.03760000 Z=0.78600000
      -7: X=0.29770000 Y=0.96240000 Z=0.28600000
N          NPT=  781  R0=.000100000 RMT= 1.65        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000