P   LATTICE,NONEQUIV.ATOMS  13   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.320225 12.489200 15.365363 90.000000 90.000000 90.710000                   
ATOM  -1: X=0.23960000 Y=0.28380000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.76040000 Y=0.71620000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.34        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.73940000 Y=0.73630000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.26060000 Y=0.26370000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.34        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.05913000 Y=0.75041000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.94087000 Y=0.24959000 Z=0.00000000
      -3: X=0.94087000 Y=0.24959000 Z=0.50000000
      -3: X=0.05913000 Y=0.75041000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.03        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=0.55985000 Y=0.25077000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.44015000 Y=0.74923000 Z=0.00000000
      -4: X=0.44015000 Y=0.74923000 Z=0.50000000
      -4: X=0.55985000 Y=0.25077000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.03        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=0.00940000 Y=0.74310000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.99060000 Y=0.25690000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.91190000 Y=0.21430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.08810000 Y=0.78570000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.47300000 Y=0.74780000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.52700000 Y=0.25220000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.52160000 Y=0.21400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.47840000 Y=0.78600000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.24670000 Y=0.75700000 Z=0.05080000
          MULT= 4          ISPLIT= 8
      -9: X=0.75330000 Y=0.24300000 Z=0.94920000
      -9: X=0.75330000 Y=0.24300000 Z=0.55080000
      -9: X=0.24670000 Y=0.75700000 Z=0.44920000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.39430000 Y=0.05900000 Z=0.02400000
          MULT= 4          ISPLIT= 8
     -10: X=0.60570000 Y=0.94100000 Z=0.97600000
     -10: X=0.60570000 Y=0.94100000 Z=0.52400000
     -10: X=0.39430000 Y=0.05900000 Z=0.47600000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.39460000 Y=0.43650000 Z=0.02530000
          MULT= 4          ISPLIT= 8
     -11: X=0.60540000 Y=0.56350000 Z=0.97470000
     -11: X=0.60540000 Y=0.56350000 Z=0.52530000
     -11: X=0.39460000 Y=0.43650000 Z=0.47470000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.10550000 Y=0.06290000 Z=0.02630000
          MULT= 4          ISPLIT= 8
     -12: X=0.89450000 Y=0.93710000 Z=0.97370000
     -12: X=0.89450000 Y=0.93710000 Z=0.52630000
     -12: X=0.10550000 Y=0.06290000 Z=0.47370000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.10580000 Y=0.44150000 Z=0.02520000
          MULT= 4          ISPLIT= 8
     -13: X=0.89420000 Y=0.55850000 Z=0.97480000
     -13: X=0.89420000 Y=0.55850000 Z=0.52520000
     -13: X=0.10580000 Y=0.44150000 Z=0.47480000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000