P   LATTICE,NONEQUIV.ATOMS  12   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.778218 17.990193  6.330583 90.000000 90.000000107.487000                   
ATOM  -1: X=0.61800000 Y=0.96500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.38200000 Y=0.03500000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     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  -2: X=0.29400000 Y=0.61000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.70600000 Y=0.39000000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     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  -3: X=0.96100000 Y=0.66700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.03900000 Y=0.33300000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.43400000 Y=0.87600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.56600000 Y=0.12400000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.41200000 Y=0.24600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.58800000 Y=0.75400000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.26100000 Y=0.06500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.73900000 Y=0.93500000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.58700000 Y=0.42300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.41300000 Y=0.57700000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.77600000 Y=0.59700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.22400000 Y=0.40300000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.74900000 Y=0.22200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.25100000 Y=0.77800000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.07500000 Y=0.15800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.92500000 Y=0.84200000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.09500000 Y=0.53600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.90500000 Y=0.46400000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.92400000 Y=0.06800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.07600000 Y=0.93200000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000