P   LATTICE,NONEQUIV.ATOMS   6   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.948069 10.550341 28.704940 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09700000 Y=0.60700000 Z=0.09000000
          MULT= 8          ISPLIT= 8
      -1: X=0.90300000 Y=0.39300000 Z=0.91000000
      -1: X=0.09700000 Y=0.60700000 Z=0.41000000
      -1: X=0.90300000 Y=0.39300000 Z=0.59000000
      -1: X=0.90300000 Y=0.10700000 Z=0.09000000
      -1: X=0.09700000 Y=0.89300000 Z=0.91000000
      -1: X=0.90300000 Y=0.10700000 Z=0.41000000
      -1: X=0.09700000 Y=0.89300000 Z=0.59000000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        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=0.28400000 Y=0.10600000 Z=0.15400000
          MULT= 8          ISPLIT= 8
      -2: X=0.71600000 Y=0.89400000 Z=0.84600000
      -2: X=0.28400000 Y=0.10600000 Z=0.34600000
      -2: X=0.71600000 Y=0.89400000 Z=0.65400000
      -2: X=0.71600000 Y=0.60600000 Z=0.15400000
      -2: X=0.28400000 Y=0.39400000 Z=0.84600000
      -2: X=0.71600000 Y=0.60600000 Z=0.34600000
      -2: X=0.28400000 Y=0.39400000 Z=0.65400000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        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=0.00900000 Y=0.36900000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.99100000 Y=0.63100000 Z=0.75000000
      -3: X=0.99100000 Y=0.86900000 Z=0.25000000
      -3: X=0.00900000 Y=0.13100000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        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=0.64700000 Y=0.12600000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.35300000 Y=0.87400000 Z=0.75000000
      -4: X=0.35300000 Y=0.62600000 Z=0.25000000
      -4: X=0.64700000 Y=0.37400000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        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  -5: X=0.18300000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.81700000 Y=0.75000000 Z=0.00000000
      -5: X=0.18300000 Y=0.25000000 Z=0.50000000
      -5: X=0.81700000 Y=0.75000000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.59100000 Y=0.22800000 Z=0.09400000
          MULT= 8          ISPLIT= 8
      -6: X=0.40900000 Y=0.77200000 Z=0.90600000
      -6: X=0.59100000 Y=0.22800000 Z=0.40600000
      -6: X=0.40900000 Y=0.77200000 Z=0.59400000
      -6: X=0.40900000 Y=0.72800000 Z=0.09400000
      -6: X=0.59100000 Y=0.27200000 Z=0.90600000
      -6: X=0.40900000 Y=0.72800000 Z=0.40600000
      -6: X=0.59100000 Y=0.27200000 Z=0.59400000
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