P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.751202 12.853917 16.695730 90.000000 90.000000 90.606000                   
ATOM  -1: X=0.33440000 Y=0.34320000 Z=0.52020000
          MULT= 4          ISPLIT= 8
      -1: X=0.66560000 Y=0.65680000 Z=0.47980000
      -1: X=0.66560000 Y=0.65680000 Z=0.02020000
      -1: X=0.33440000 Y=0.34320000 Z=0.97980000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.47510000 Y=0.02510000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.52490000 Y=0.97490000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.83880000 Y=0.32840000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.16120000 Y=0.67160000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.17560000 Y=0.64220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.82440000 Y=0.35780000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.32650000 Y=0.76810000 Z=0.02060000
          MULT= 4          ISPLIT= 8
      -6: X=0.67350000 Y=0.23190000 Z=0.97940000
      -6: X=0.67350000 Y=0.23190000 Z=0.52060000
      -6: X=0.32650000 Y=0.76810000 Z=0.47940000
S          NPT=  781  R0=.000100000 RMT= 2.09        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=0.18070000 Y=0.27830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.81930000 Y=0.72170000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.09        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=0.87870000 Y=0.76430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.12130000 Y=0.23570000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000