P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.496759 12.073460 20.722737 90.000000 90.000000115.650000                   
ATOM  -1: X=0.66120000 Y=0.71490000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.33880000 Y=0.28510000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22860000 Y=0.12940000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.77140000 Y=0.87060000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14250000 Y=0.57860000 Z=0.14580000
          MULT= 4          ISPLIT= 8
      -3: X=0.85750000 Y=0.42140000 Z=0.85420000
      -3: X=0.85750000 Y=0.42140000 Z=0.64580000
      -3: X=0.14250000 Y=0.57860000 Z=0.35420000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.57810000 Y=0.35510000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.42190000 Y=0.64490000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.03        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=0.08210000 Y=0.23270000 Z=0.10530000
          MULT= 4          ISPLIT= 8
      -5: X=0.91790000 Y=0.76730000 Z=0.89470000
      -5: X=0.91790000 Y=0.76730000 Z=0.60530000
      -5: X=0.08210000 Y=0.23270000 Z=0.39470000
S          NPT=  781  R0=.000100000 RMT= 2.03        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=0.51580000 Y=0.22310000 Z=0.60530000
          MULT= 4          ISPLIT= 8
      -6: X=0.48420000 Y=0.77690000 Z=0.39470000
      -6: X=0.48420000 Y=0.77690000 Z=0.10530000
      -6: X=0.51580000 Y=0.22310000 Z=0.89470000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000